Gaussian 16 GINC-BERON03 GRUFOR coments ES64L-G16RevC.02 25-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 39 39 101 102 438 (5D, 7F) def2SVP 111 111 C1[X(C12H12BF6N4O4)] C1[X(C12H12BF6N4O4)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 388.9542191999998 0 2 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.8479,1.0279,.1038;-1.2608,.0117,.7949;.3683,1.608,.4189;2.3257,-.7693,-1.3837;2.9731,-1.092,-2.2127;2.6234,-1.6021,-.1645;.8935,-.8813,-1.8861;2.6368,-1.1809,.9741;.3992,-.0939,-2.6431;.2837,-1.9708,-1.4263;2.8749,-2.8647,-.4612;3.0343,-3.7604,.6316;3.243,-4.7413,.1922;3.8647,-3.4444,1.278;2.1112,-3.798,1.2269;-1.0377,-2.209,-1.8988;-1.4012,-3.084,-1.3511;-1.682,-1.3435,-1.7022;-1.0239,-2.4095,-2.9796;1.7028,2.2984,.409;3.9243,2.6935,.7415;3.41,3.7941,.1476;4.945,2.4848,1.0482;3.8967,4.7217,-.138;2.9014,1.7819,.9184;2.0627,3.5537,-.11;3.0018,.8086,1.191;1.3901,4.3004,-.2109;.0657,.3186,1.0171;-.9104,2.0116,-.144;-3.2541,1.1594,-.3897;-1.8614,-1.2165,1.3896;-2.2395,-1.0419,2.6604;-2.9304,-1.64,.7123;-.9633,-2.2187,1.3951;-4.1565,.878,.5501;-3.478,2.4152,-.8045;-3.5133,.3579,-1.4333;2.5183,.2899,-1.1728; /NFS_R1/Userdata/grufor/SOFTWARE/g16/g16 Output=13_a_2COMe.log chk=13_a_2COMe.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 11 12 1 12 12 16 16 16 16 12 1 1 1 12 1 1 1 12 12 12 1 1 14 14 1 1 14 14 12 12 19 19 19 19 19 19 1 12.0000000 12.0000000 11.0093053 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 1.0078250 0 0 3 0 1 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 1 1 2 2 1 1 2 2 0 0 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 3 4 4 4 4 6 6 7 7 8 10 11 12 12 12 16 16 16 20 20 21 21 21 22 22 25 26 31 31 31 32 32 32 2 30 31 29 32 20 29 30 5 6 7 39 8 11 9 10 27 16 12 13 14 15 17 18 19 25 26 22 23 25 24 26 27 28 36 37 38 33 34 35 1.3619 1.3812 1.4961 1.3796 1.491 1.5026 1.4533 1.4542 1.1003 1.5062 1.5218 1.097 1.2141 1.3211 1.1989 1.3304 2.0343 1.4234 1.4219 1.0948 1.0987 1.0991 1.0944 1.0968 1.0994 1.401 1.4052 1.3522 1.0861 1.3815 1.0858 1.3926 1.0158 1.01 1.3329 1.3414 1.3411 1.3373 1.3345 1.3457 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 2 2 30 1 1 29 20 20 29 5 5 5 6 6 7 4 4 8 4 4 9 6 7 6 11 11 11 13 13 14 10 10 10 17 17 18 3 3 25 22 22 23 21 21 24 20 20 21 20 20 22 8 2 1 1 1 1 36 36 37 2 2 2 33 33 34 1 1 1 2 2 2 3 3 3 4 4 4 4 4 4 6 6 6 7 7 7 8 10 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 21 21 21 22 22 22 25 25 25 26 26 26 27 29 30 31 31 31 31 31 31 32 32 32 32 32 32 30 31 31 29 32 32 29 30 30 6 7 39 7 39 39 8 11 11 9 10 10 27 16 12 13 14 15 14 15 15 17 18 19 18 19 19 25 26 26 23 25 25 24 26 26 21 27 27 22 28 28 25 3 3 36 37 38 37 38 38 33 34 35 34 35 35 109.2579 129.6524 121.0757 109.286 130.0476 120.4167 126.5343 130.6066 102.8575 109.349 106.4658 108.95 114.3641 110.0916 107.4475 124.7105 112.5988 122.6907 123.237 112.1803 124.5415 116.187 116.605 116.7926 106.1012 110.8369 110.0975 110.4757 110.2908 109.0175 106.0264 110.7159 110.1993 110.2501 110.5079 109.1166 126.0152 129.8196 104.155 129.6333 108.1638 122.2015 129.8237 107.9785 122.1736 110.0948 122.3716 126.405 109.4917 121.7931 122.3494 152.9709 109.3409 109.2512 112.6524 109.9508 112.6927 107.6213 106.9583 106.6531 112.6645 112.4359 110.2636 107.2927 106.3797 107.4807 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 30 30 31 31 2 31 2 2 2 30 30 30 1 32 1 1 1 29 29 29 29 29 30 30 20 30 20 29 5 5 7 7 39 39 5 5 6 6 39 39 4 11 4 8 4 9 6 7 7 7 6 6 6 3 3 26 26 3 3 25 25 23 23 25 25 22 22 23 23 21 21 24 24 20 21 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 7 7 8 10 10 10 11 11 11 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 25 25 2 2 2 2 30 30 31 31 31 31 31 31 29 29 32 32 32 32 32 32 20 20 20 20 29 29 30 30 6 6 6 6 6 6 7 7 7 7 7 7 8 8 11 11 10 10 27 16 16 16 12 12 12 25 25 25 25 26 26 26 26 22 22 22 22 25 25 25 25 26 26 26 26 27 27 29 32 29 32 3 3 36 37 38 36 37 38 3 3 33 34 35 33 34 35 25 26 25 26 2 2 1 1 8 11 8 11 8 11 9 10 9 10 9 10 27 27 12 12 16 16 25 17 18 19 13 14 15 21 27 21 27 22 28 22 28 24 26 24 26 20 27 20 27 20 28 20 28 8 8 0.3949 174.5531 179.0161 -6.8257 0.138 -178.6226 48.6684 168.699 -72.4688 -132.8514 -12.8208 106.0114 -0.7744 -175.5906 -91.2126 30.1819 150.1067 82.3912 -156.2143 -36.2895 3.4672 -177.8873 -175.9883 2.6572 -178.7668 0.8091 178.9793 -0.5719 142.2426 -37.7363 -98.4952 81.5259 22.5774 -157.4016 -75.8729 101.8865 163.2553 -18.9853 40.7333 -141.5073 -24.6815 155.2954 -173.8243 6.1963 -176.5516 1.1732 39.7712 -175.1046 -55.5246 65.2869 -179.4531 -59.4905 61.2085 -179.7982 11.6343 1.2747 -167.2928 178.1924 25.6672 -2.9375 -155.4627 -1.335 176.8706 179.0788 -2.7156 0.8827 168.8774 -178.7407 -10.746 3.5944 155.9376 -178.0337 -25.6905 36.4782 -130.1491 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 465 A 438 A 759 465 2828.9434001891 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 61 out of a maximum of 191 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00168 0.00291 0.00324 0.00448 0.00622 0.00728 0.00922 0.01215 0.01410 0.01486 0.01680 0.01724 0.01946 0.02195 0.02214 0.02428 0.02660 0.02922 0.03295 0.03633 0.03925 0.04112 0.04443 0.04879 0.05162 0.05273 0.06668 0.06996 0.09731 0.10061 0.10282 0.10404 0.10669 0.10841 0.10904 0.11124 0.12231 0.12630 0.13582 0.14713 0.15468 0.15735 0.15959 0.16001 0.16058 0.16104 0.16332 0.16443 0.16592 0.19016 0.21295 0.22015 0.23254 0.24184 0.24511 0.24877 0.24987 0.25193 0.25333 0.25419 0.25539 0.25794 0.26507 0.26853 0.27686 0.28671 0.29526 0.30015 0.30530 0.31394 0.32267 0.32616 0.33070 0.33712 0.33767 0.33823 0.33906 0.34146 0.34218 0.34268 0.34402 0.35135 0.35276 0.35304 0.36902 0.39547 0.40099 0.40844 0.42333 0.43019 0.43609 0.45835 0.45948 0.46207 0.47856 0.49111 0.52371 0.53930 0.55199 0.56824 0.57163 0.57384 0.58612 0.59003 0.60512 0.63907 0.68770 0.98797 1.05357 2.49201 3.58333 -2.47809940e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 2.78648 2.46684 2.85019 2.46961 2.85045 2.95004 2.73829 2.73854 2.06642 2.85720 2.86514 2.08013 2.29394 2.48329 2.27546 2.50730 3.21538 2.68619 2.68399 2.06883 2.07628 2.07746 2.06829 2.07718 2.07772 2.52469 2.54131 2.57977 2.05063 2.58880 2.05047 2.59419 1.96272 1.92022 2.52773 2.50984 2.54027 2.52946 2.53340 2.51329 1.94410 2.21277 2.12153 1.94427 2.20957 2.12935 2.21815 2.07585 1.98564 1.91918 1.93029 1.92112 1.94691 1.87363 1.87128 2.17907 1.95098 2.15134 2.17212 1.94063 2.17010 2.29615 2.04212 2.04113 1.85062 1.93829 1.89868 1.93115 1.92607 1.91790 1.85151 1.93174 1.93035 1.91532 1.93276 1.90200 2.28585 2.14394 1.85196 2.27848 1.86652 2.13817 2.28653 1.84984 2.14682 1.92663 2.12196 2.23081 1.92978 2.11358 2.23923 2.87147 1.77461 1.77586 1.95398 1.95086 1.93229 1.88095 1.86872 1.87301 1.94828 1.93878 1.95129 1.87240 1.87230 1.87686 0.01165 -3.12903 3.04857 -0.09210 0.00402 -3.03922 0.72616 2.83841 -1.35763 -2.52985 -0.41759 1.66956 -0.02050 3.12022 -1.26285 0.82617 2.92289 1.87975 -2.31441 -0.21769 0.08083 -3.12656 -2.96441 0.11139 -3.02522 0.02425 3.04010 -0.01754 3.14070 0.06187 -0.99429 2.21006 1.05089 -2.02795 -3.06670 0.04799 1.07464 -2.09386 -0.97196 2.14273 0.98762 -2.22367 -2.97495 0.22823 3.08025 -0.08821 1.16456 -2.98044 -0.90379 1.20592 -3.12337 -1.02463 1.08833 3.07551 0.02031 -0.00855 -3.06375 -3.08390 0.02370 0.00600 3.11360 -0.00843 3.13195 3.13885 -0.00396 0.00793 3.05633 -3.12854 -0.08014 -0.00122 -3.10573 3.13928 0.03477 -0.57600 2.66816 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00003 0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00004 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00002 -0.00000 0.00000 0.00000 -0.00004 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 0.00005 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00001 -0.00002 -0.00003 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00002 -0.00000 -0.00001 -0.00001 0.00003 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00003 0.00003 -0.00000 -0.00003 0.00002 0.00002 -0.00002 0.00001 -0.00000 0.00005 -0.00002 -0.00002 -0.00002 0.00001 0.00002 -0.00005 0.00002 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00005 0.00005 -0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00000 -0.00002 0.00000 0.00005 -0.00005 0.00000 0.00002 -0.00002 0.00002 0.00000 0.00000 -0.00002 -0.00000 0.00002 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00002 0.00000 -0.00002 0.00003 0.00001 0.00002 -0.00001 0.00013 0.00012 0.00014 0.00017 0.00015 0.00017 -0.00002 -0.00000 -0.00018 -0.00018 -0.00021 -0.00021 -0.00021 -0.00023 0.00006 0.00011 0.00003 0.00008 0.00001 0.00004 -0.00001 -0.00004 0.00005 -0.00001 0.00004 -0.00002 0.00003 -0.00003 -0.00011 -0.00012 -0.00007 -0.00008 -0.00008 -0.00009 0.00000 0.00007 -0.00000 -0.00006 -0.00008 -0.00009 0.00031 0.00049 0.00050 0.00050 0.00031 0.00033 0.00031 0.00005 0.00002 0.00001 -0.00003 -0.00003 0.00002 0.00001 0.00005 -0.00005 -0.00004 0.00001 0.00002 -0.00002 0.00003 0.00004 0.00009 -0.00002 -0.00007 -0.00001 -0.00006 -0.00036 -0.00041 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00002 0.00000 -0.00000 -0.00002 0.00000 -0.00000 0.00001 0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00000 0.00004 0.00000 -0.00001 -0.00004 -0.00001 0.00000 -0.00006 0.00004 0.00002 0.00000 -0.00000 -0.00000 -0.00003 0.00002 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00002 0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00002 -0.00000 -0.00000 0.00000 0.00003 0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00005 -0.00000 0.00005 -0.00001 -0.00004 -0.00003 -0.00021 -0.00020 -0.00021 -0.00021 -0.00021 -0.00021 -0.00003 0.00002 0.00009 0.00007 0.00009 0.00003 0.00001 0.00003 0.00003 0.00007 -0.00002 0.00001 -0.00004 0.00001 0.00007 0.00002 -0.00001 0.00001 -0.00000 0.00002 -0.00002 -0.00000 0.00011 0.00011 0.00008 0.00008 0.00010 0.00011 -0.00001 -0.00003 0.00009 0.00011 -0.00004 -0.00004 -0.00004 0.00034 0.00035 0.00036 -0.00022 -0.00021 -0.00020 0.00002 0.00002 -0.00001 -0.00001 -0.00002 -0.00006 0.00000 -0.00004 -0.00003 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00005 0.00002 0.00006 0.00011 0.00010 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00003 0.00000 -0.00000 -0.00000 0.00001 -0.00003 -0.00002 0.00003 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00003 0.00004 -0.00001 0.00001 0.00002 0.00002 -0.00006 0.00001 0.00000 -0.00002 0.00002 0.00000 -0.00002 0.00000 0.00001 -0.00009 0.00005 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00003 0.00002 -0.00001 0.00002 -0.00004 0.00005 -0.00001 0.00002 -0.00000 -0.00002 0.00002 0.00000 -0.00002 0.00001 0.00003 -0.00003 0.00000 0.00001 -0.00001 0.00005 0.00001 0.00000 -0.00002 -0.00000 -0.00000 0.00001 0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00005 -0.00003 0.00008 -0.00000 -0.00002 -0.00004 -0.00008 -0.00008 -0.00006 -0.00005 -0.00006 -0.00004 -0.00006 0.00002 -0.00009 -0.00011 -0.00011 -0.00018 -0.00020 -0.00020 0.00009 0.00017 0.00000 0.00008 -0.00004 0.00005 0.00006 -0.00002 0.00004 -0.00000 0.00004 -0.00001 0.00001 -0.00003 -0.00001 -0.00001 0.00000 -0.00000 0.00003 0.00002 -0.00001 0.00004 0.00008 0.00004 -0.00012 -0.00013 0.00027 0.00083 0.00086 0.00086 0.00010 0.00012 0.00011 0.00007 0.00003 0.00000 -0.00004 -0.00005 -0.00005 0.00001 0.00001 -0.00008 -0.00005 -0.00001 0.00002 -0.00001 0.00004 0.00005 0.00010 -0.00002 -0.00002 0.00001 0.00000 -0.00025 -0.00030 2.78649 2.46683 2.85019 2.46961 2.85044 2.95003 2.73829 2.73855 2.06642 2.85719 2.86516 2.08013 2.29394 2.48328 2.27547 2.50727 3.21535 2.68622 2.68399 2.06883 2.07628 2.07746 2.06829 2.07718 2.07772 2.52468 2.54132 2.57977 2.05063 2.58880 2.05047 2.59420 1.96271 1.92022 2.52774 2.50984 2.54027 2.52945 2.53343 2.51327 1.94410 2.21277 2.12152 1.94426 2.20957 2.12935 2.21812 2.07590 1.98563 1.91919 1.93031 1.92114 1.94685 1.87364 1.87129 2.17906 1.95100 2.15134 2.17211 1.94063 2.17011 2.29606 2.04216 2.04113 1.85063 1.93829 1.89867 1.93116 1.92606 1.91790 1.85151 1.93174 1.93032 1.91535 1.93276 1.90201 2.28582 2.14399 1.85196 2.27851 1.86652 2.13815 2.28655 1.84984 2.14679 1.92664 2.12199 2.23078 1.92978 2.11360 2.23922 2.87152 1.77461 1.77586 1.95396 1.95086 1.93229 1.88095 1.86873 1.87303 1.94827 1.93878 1.95129 1.87239 1.87232 1.87686 0.01170 -3.12905 3.04865 -0.09210 0.00400 -3.03926 0.72608 2.83833 -1.35769 -2.52989 -0.41764 1.66952 -0.02055 3.12024 -1.26294 0.82606 2.92278 1.87958 -2.31460 -0.21789 0.08092 -3.12639 -2.96441 0.11147 -3.02525 0.02430 3.04016 -0.01756 3.14075 0.06186 -0.99425 2.21005 1.05090 -2.02798 -3.06671 0.04797 1.07464 -2.09386 -0.97194 2.14275 0.98761 -2.22364 -2.97486 0.22827 3.08012 -0.08834 1.16483 -2.97962 -0.90294 1.20678 -3.12327 -1.02451 1.08843 3.07558 0.02034 -0.00855 -3.06379 -3.08395 0.02366 0.00601 3.11361 -0.00851 3.13190 3.13884 -0.00394 0.00792 3.05637 -3.12849 -0.08004 -0.00124 -3.10575 3.13929 0.03478 -0.57625 2.66786 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000048 0.000009 0.001570 0.000268 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.216668e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 3 4 4 4 4 6 6 7 7 8 10 11 12 12 12 16 16 16 20 20 21 21 21 22 22 25 26 31 31 31 32 32 32 2 30 31 29 32 20 29 30 5 6 7 39 8 11 9 10 27 16 12 13 14 15 17 18 19 25 26 22 23 25 24 26 27 28 36 37 38 33 34 35 1.4745 1.3054 1.5083 1.3069 1.5084 1.5611 1.449 1.4492 1.0935 1.512 1.5162 1.1008 1.2139 1.3141 1.2041 1.3268 1.7015 1.4215 1.4203 1.0948 1.0987 1.0993 1.0945 1.0992 1.0995 1.336 1.3448 1.3652 1.0851 1.3699 1.0851 1.3728 1.0386 1.0161 1.3376 1.3282 1.3443 1.3385 1.3406 1.33 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 2 2 30 1 1 29 20 20 29 5 5 5 6 6 7 4 4 8 4 4 9 6 7 6 11 11 11 13 13 14 10 10 10 17 17 18 3 3 25 22 22 23 21 21 24 20 20 21 20 20 22 8 2 1 1 1 1 36 36 37 2 2 2 33 33 34 1 1 1 2 2 2 3 3 3 4 4 4 4 4 4 6 6 6 7 7 7 8 10 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 21 21 21 22 22 22 25 25 25 26 26 26 27 29 30 31 31 31 31 31 31 32 32 32 32 32 32 30 31 31 29 32 32 29 30 30 6 7 39 7 39 39 8 11 11 9 10 10 27 16 12 13 14 15 14 15 15 17 18 19 18 19 19 25 26 26 23 25 25 24 26 26 21 27 27 22 28 28 25 3 3 36 37 38 37 38 38 33 34 35 34 35 35 111.3886 126.7821 121.5545 111.3983 126.5991 122.0026 127.0908 118.9376 113.7687 109.9607 110.5975 110.0723 111.5497 107.3512 107.2167 124.8518 111.7829 123.2624 124.4535 111.1899 124.3373 131.5594 117.0047 116.9479 106.0326 111.0559 108.7863 110.6468 110.3556 109.8878 106.0838 110.6804 110.6009 109.7398 110.7391 108.9764 130.9698 122.8387 106.1096 130.5475 106.9437 122.508 131.0083 105.9881 123.0036 110.388 121.5794 127.8162 110.5683 121.0993 128.2986 164.5231 101.6775 101.7491 111.9547 111.7761 110.7123 107.7703 107.07 107.3158 111.6279 111.0838 111.8006 107.2806 107.2747 107.5362 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 30 30 31 31 2 31 2 2 2 30 30 30 1 32 1 1 1 29 29 29 29 29 30 30 20 30 20 29 5 5 7 7 39 39 5 5 6 6 39 39 4 11 4 8 4 9 6 7 7 7 6 6 6 3 3 26 26 3 3 25 25 23 23 25 25 22 22 23 23 21 21 24 24 20 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 7 7 8 10 10 10 11 11 11 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 25 2 2 2 2 30 30 31 31 31 31 31 31 29 29 32 32 32 32 32 32 20 20 20 20 29 29 30 30 6 6 6 6 6 6 7 7 7 7 7 7 8 8 11 11 10 10 27 16 16 16 12 12 12 25 25 25 25 26 26 26 26 22 22 22 22 25 25 25 25 26 26 26 26 27 29 32 29 32 3 3 36 37 38 36 37 38 3 3 33 34 35 33 34 35 25 26 25 26 2 2 1 1 8 11 8 11 8 11 9 10 9 10 9 10 27 27 12 12 16 16 25 17 18 19 13 14 15 21 27 21 27 22 28 22 28 24 26 24 26 20 27 20 27 20 28 20 28 8 0.6672 -179.28 174.6702 -5.277 0.2304 -174.1343 41.6057 162.6292 -77.7862 -144.9495 -23.9261 95.6585 -1.1744 178.7757 -72.356 47.3362 167.4693 107.702 -132.6058 -12.4727 4.6313 -179.1386 -169.8481 6.382 -173.3321 1.3895 174.185 -1.005 179.9491 3.5447 -56.9686 126.627 60.2116 -116.1928 -175.7092 2.7494 61.5721 -119.9693 -55.6894 122.7691 56.5866 -127.407 -170.452 13.0767 176.4852 -5.0541 66.7246 -170.7669 -51.7836 69.0943 -178.9556 -58.707 62.3565 176.2136 1.1638 -0.49 -175.5398 -176.6944 1.3581 0.3436 178.3961 -0.4827 179.4477 179.8428 -0.2268 0.4543 175.115 -179.2523 -4.5917 -0.0699 -177.9449 179.8674 1.9924 -33.0023 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0337984668 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.8479,1.0279,.1039;-1.2608,.0117,.7949;.3683,1.608,.4189;2.3257,-.7693,-1.3837;2.9731,-1.092,-2.2127;2.6234,-1.6021,-.1645;.8935,-.8814,-1.8861;2.6368,-1.1809,.9741;.3992,-.0939,-2.6431;.2837,-1.9707,-1.4263;2.8749,-2.8647,-.4612;3.0343,-3.7604,.6316;3.243,-4.7413,.1922;3.8647,-3.4444,1.278;2.1112,-3.798,1.2269;-1.0377,-2.2091,-1.8988;-1.4012,-3.084,-1.3511;-1.682,-1.3435,-1.7022;-1.0239,-2.4096,-2.9796;1.7028,2.2984,.409;3.9243,2.6935,.7415;3.41,3.7941,.1476;4.945,2.4848,1.0482;3.8967,4.7217,-.138;2.9014,1.7819,.9184;2.0627,3.5537,-.1099;3.0018,.8086,1.191;1.3901,4.3004,-.2109;.0657,.3186,1.0171;-.9104,2.0116,-.144;-3.2541,1.1594,-.3897;-1.8614,-1.2165,1.3896;-2.2395,-1.0419,2.6603;-2.9304,-1.64,.7123;-.9633,-2.2187,1.3951;-4.1565,.878,.5501;-3.478,2.4152,-.8045;-3.5133,.358,-1.4333;2.5183,.2899,-1.1728; 0.000000 1.361933 0.000000 2.312369 2.311549 0.000000 4.781343 4.268367 3.568215 0.000000 5.753497 5.309425 4.582649 1.100276 0.000000 5.194424 4.314207 3.966245 1.506244 2.139525 0.000000 3.888511 3.553361 3.433032 1.521838 2.115612 2.544805 0.000000 5.074350 4.079967 3.637662 2.413584 3.205696 1.214077 3.362956 0.000000 3.722016 3.819200 3.503325 2.398661 2.794059 3.655886 1.198939 4.390059 0.000000 3.984619 3.354017 4.027302 2.369549 2.936557 2.683675 1.330427 3.452910 2.239720 0.000000 6.146268 5.191892 5.202193 2.354458 2.493937 1.321115 3.144812 2.225290 4.308949 2.905956 0.000000 6.858794 5.718763 5.997752 3.675641 3.900470 2.336811 4.382998 2.632340 5.577680 3.873421 1.421907 0.000000 7.694720 6.575610 6.973435 4.370563 4.378744 3.219527 4.973769 3.695285 6.141990 4.364910 2.020889 1.094843 0.000000 7.349378 6.200688 6.203965 4.075433 4.302681 2.648621 5.040643 2.592911 6.213684 4.723084 2.083364 1.098711 1.802063 0.000000 6.342325 5.105977 5.737180 4.004291 4.460491 2.649559 4.436246 2.681290 5.623870 3.703751 2.074609 1.099142 1.800397 1.789502 0.000000 3.891666 3.498224 4.681680 3.694624 4.175254 4.096313 2.343594 4.776234 2.663107 1.423441 4.219555 5.038914 5.395215 5.970817 4.712749 0.000000 4.384617 3.769472 5.317809 4.387313 4.883129 4.449899 3.225475 5.033288 3.721709 2.020901 4.373189 4.905335 5.166853 5.896691 4.415046 1.094394 0.000000 2.985494 2.872205 4.173013 4.061079 4.689758 4.579078 2.623091 5.083405 2.603434 2.081723 4.961759 5.790630 6.276033 6.637778 5.384429 1.096766 1.797633 0.000000 4.690741 4.490629 5.443241 4.056754 4.277910 4.677623 2.684740 5.526536 2.738701 2.077373 4.663735 5.597773 5.805510 6.564783 5.426945 1.099372 1.802590 1.789208 0.000000 3.783512 3.763135 1.502639 3.607267 4.470110 4.048563 4.004160 3.646584 4.091212 4.858790 5.365537 6.207430 7.209499 6.197464 6.164593 5.757911 6.457859 5.401660 6.409600 0.000000 6.041394 5.837782 3.731963 4.366096 4.895107 4.578813 5.373005 4.089335 5.625974 6.301413 5.782854 6.515912 7.486131 6.161568 6.757390 7.458343 8.131383 7.327975 8.023249 2.280650 0.000000 5.941307 6.044989 3.755658 4.934063 5.443886 5.462186 5.685802 5.102120 5.654191 6.744181 6.707956 7.579315 8.537145 7.340299 7.777639 7.746436 8.526577 7.466278 8.241633 2.284680 1.352219 0.000000 7.011239 6.685220 4.702261 4.833598 5.226361 4.854179 6.029518 4.332478 6.398415 6.906646 5.931314 6.544198 7.472995 6.031148 6.894601 8.155292 8.777370 8.132478 8.706640 3.309819 1.086057 2.209424 0.000000 6.833960 7.046585 4.738723 5.845604 6.241559 6.450838 6.593135 6.137203 6.457470 7.713777 7.661767 8.560534 9.491330 8.288027 8.811172 8.688160 9.511539 8.387839 9.118257 3.314299 2.210886 1.085789 2.740424 0.000000 4.877268 4.524689 2.587767 3.484204 4.250689 3.563955 4.357720 2.975140 4.739641 5.141214 4.847180 5.551346 6.572397 5.326474 5.644021 6.275398 6.880441 6.135414 6.940550 1.401022 1.381493 2.213981 2.164982 3.278589 0.000000 4.660246 4.940648 2.633748 4.514401 5.180086 5.186546 4.918477 4.890956 4.742305 5.951218 6.479137 7.415556 8.384008 7.358445 7.472422 6.783923 7.589383 6.367167 7.302245 1.405161 2.220446 1.392622 3.285054 2.174551 2.213639 0.000000 4.974874 4.354490 2.858432 3.094502 3.898507 2.791448 4.095029 2.034293 4.721078 4.686432 4.029771 4.603245 5.644205 4.340484 4.692011 5.913561 6.403209 5.910999 6.630014 2.125683 2.146149 3.188841 2.570236 4.228469 1.015765 3.179648 0.000000 4.614467 5.141228 2.947919 5.287036 5.965886 6.030231 5.468453 5.744879 5.119404 6.482990 7.321651 8.269860 9.238428 8.265722 8.256620 7.149608 7.976366 6.596706 7.649694 2.118965 3.148174 2.112991 4.185547 2.542754 3.146763 1.010000 4.093381 0.000000 2.235893 1.379574 1.453283 3.471978 4.568853 3.409869 3.248645 2.976718 3.698442 3.355390 4.495562 5.059591 6.031382 5.353468 4.601507 4.013581 4.397510 3.634793 4.960243 2.640068 4.539236 4.900999 5.338615 5.949684 3.192529 3.965404 2.981745 4.372364 0.000000 1.381246 2.236872 1.454198 4.443173 5.384537 5.054413 3.828544 4.901502 3.520411 4.350722 6.181169 7.034065 7.935011 7.388523 6.690298 4.572622 5.259569 3.778869 5.253543 2.686459 4.962161 4.682777 5.994232 5.518450 3.963735 3.349422 4.305175 3.245923 2.273166 0.000000 1.496106 2.587216 3.738532 5.986800 6.868102 6.497887 4.858684 6.483848 4.471580 4.836207 7.332359 8.049385 8.795982 8.640200 7.481700 4.305421 4.729146 3.234054 4.941572 5.148452 7.427112 7.186147 8.429080 7.992967 6.323679 5.837740 6.462039 5.609558 3.702367 2.505892 0.000000 2.586684 1.490972 3.727126 5.042053 6.030268 4.762076 4.293217 4.517501 4.757361 3.619295 5.345472 5.569030 6.317597 6.145180 4.740422 3.532251 3.348234 3.099557 4.605914 5.101018 7.012998 7.378124 7.755203 8.411434 5.647733 6.356277 5.271711 6.600841 2.491783 3.698223 3.278827 0.000000 3.312607 2.355392 4.341231 6.104810 7.135807 5.651647 5.523699 5.161475 5.998932 4.891782 6.262823 6.270491 7.059312 6.703932 5.345884 4.857161 4.578717 4.408333 5.929342 5.636354 7.458338 7.849693 8.164138 8.871477 6.118568 6.877714 5.749245 7.068170 3.140844 4.353691 3.895933 1.337270 0.000000 2.942751 2.350005 4.638591 5.725149 6.611143 5.622742 4.685012 5.592258 4.973385 3.874723 6.048008 6.330958 6.928144 7.053275 5.508125 3.274734 2.946425 2.734240 4.225756 6.088519 8.109644 8.369525 8.896536 9.370366 6.764746 7.251307 6.435484 7.403247 3.592431 4.259970 3.025859 1.334473 2.151752 0.000000 3.604259 2.328899 4.167716 4.543113 5.457199 3.959448 4.000319 3.770323 4.762134 3.094629 4.312179 4.352134 5.050057 4.982487 3.460466 3.294729 2.912411 3.297821 4.379302 5.337200 6.960291 7.538996 7.559862 8.610477 5.582874 6.689024 4.992823 7.114612 2.763988 4.501888 4.454803 1.345719 2.148075 2.161169 0.000000 2.356071 3.032331 4.585090 6.962101 7.895879 7.254556 5.876444 7.111081 5.647540 5.633541 8.029346 8.557405 9.298177 9.140617 7.848960 5.025321 5.186918 4.016364 5.751511 6.030653 8.284350 8.118925 9.255596 8.949915 7.125016 6.802406 7.187195 6.561780 4.284598 3.507653 1.332915 3.218558 3.437165 2.805307 4.527685 0.000000 2.325313 3.640187 4.116112 6.645238 7.476697 7.333258 5.580995 7.313491 4.970775 5.811551 8.267713 9.089109 9.868184 9.622202 8.600585 5.341965 5.903728 4.261434 5.833697 5.322369 7.567135 7.088932 8.624658 7.755703 6.638273 5.698960 6.967888 5.254111 4.502516 2.681791 1.341359 4.540633 5.048908 4.364089 5.712773 2.158332 0.000000 2.363277 3.187179 4.478767 5.946930 6.692009 6.565875 4.600056 6.781375 4.120039 4.454215 7.220723 8.005972 8.619227 8.731678 7.482165 3.596485 4.039181 2.514148 4.030755 5.862335 8.093273 7.889097 9.067688 8.696423 6.978957 6.561648 7.038161 6.409439 4.337643 3.342378 1.341121 3.629899 4.509993 2.989123 4.597962 2.148969 2.151490 0.000000 4.608480 4.269743 2.982207 1.096982 1.788266 2.146476 2.126136 2.605041 2.607656 3.188704 3.253431 4.463926 5.263160 4.665127 4.757600 4.406421 5.174681 4.537683 4.806132 2.683511 3.379152 3.849435 3.954626 4.755231 2.597306 3.462644 2.467868 4.275832 3.288103 3.972207 5.889826 5.293054 6.253205 6.079965 5.000859 6.918559 6.372489 6.037555 0.000000 C12H12BF6N4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:1.8418,1.0556,-.0988;1.2644,.038,-.7959;-.3784,1.6191,-.4154;-2.3198,-.7828,1.3719;-2.9662,-1.1148,2.1981;-2.6084,-1.6122,.1481;-.8877,-.8856,1.8766;-2.623,-1.1856,-.9884;-.4013,-.0978,2.6383;-.2682,-1.9677,1.4127;-2.8501,-2.8782,.4383;-3.0001,-3.7699,-.6591;-3.2015,-4.7545,-.2248;-3.8317,-3.4575,-1.3056;-2.0755,-3.797,-1.2528;1.0542,-2.1975,1.8867;1.4259,-3.0668,1.3355;1.6918,-1.3258,1.6955;1.0401,-2.4033,2.9665;-1.7186,2.2985,-.4048;-3.9426,2.677,-.7398;-3.4385,3.7789,-.1395;-4.961,2.4614,-1.0494;-3.9333,4.7011,.1495;-2.912,1.7747,-.919;-2.0898,3.5483,.1195;-3.0039,.8019,-1.1965;-1.4235,4.3,.2253;-.0642,.335,-1.0192;.8958,2.0303,.1519;3.2459,1.1962,.3981;1.8761,-1.1824,-1.3953;2.2552,-.9986,-2.6644;2.9472,-1.6004,-.7179;.9863,-2.1919,-1.4074;4.1523,.9267,-.5413;3.4588,2.4518,.8194;3.5096,.3919,1.4383;-2.5207,.2758,1.1657; 0.2309254 0.1638678 0.1247464 -24.83469 -24.82676 -24.82519 -24.82402 -24.81922 -24.81257 -19.31536 -19.30293 -19.25917 -19.24416 -14.56900 -14.56205 -14.39062 -14.38684 -10.52630 -10.52288 -10.44336 -10.43434 -10.42295 -10.39754 -10.39668 -10.36061 -10.34465 -10.33292 -10.32962 -10.32863 -6.84365 -1.38760 -1.38274 -1.29529 -1.29038 -1.28394 -1.28037 -1.22103 -1.20486 -1.17818 -1.11980 -1.11211 -1.05245 -1.01673 -0.91443 -0.90116 -0.88329 -0.83944 -0.83054 -0.80194 -0.79955 -0.78591 -0.76064 -0.74391 -0.71592 -0.69066 -0.67646 -0.67300 -0.66695 -0.66472 -0.65971 -0.65729 -0.64621 -0.64306 -0.62831 -0.60759 -0.60047 -0.59319 -0.58792 -0.58566 -0.58211 -0.57287 -0.56515 -0.55186 -0.54458 -0.54381 -0.53847 -0.53654 -0.52861 -0.52319 -0.51944 -0.50900 -0.50642 -0.50425 -0.49742 -0.49007 -0.48297 -0.47752 -0.47614 -0.47207 -0.47007 -0.46967 -0.46473 -0.45844 -0.45136 -0.44427 -0.43776 -0.40063 -0.39478 -0.38824 -0.38307 -0.36056 -0.34489 -0.31553 -0.27654 -0.27474 -0.01085 0.04744 0.06879 0.08448 0.10108 0.10462 0.13767 0.14203 0.15038 0.15927 0.17260 0.18444 0.19067 0.20124 0.20255 0.20607 0.21112 0.21217 0.21577 0.21987 0.22695 0.22985 0.23275 0.25823 0.26201 0.28631 0.29307 0.29596 0.31001 0.32097 0.32917 0.33305 0.34395 0.35206 0.36035 0.37658 0.37769 0.38305 0.38635 0.39300 0.40692 0.41158 0.42859 0.43875 0.45041 0.45485 0.47011 0.49098 0.49648 0.50872 0.51371 0.51911 0.52154 0.52482 0.53319 0.54119 0.54462 0.54541 0.55412 0.56015 0.57032 0.57580 0.58775 0.59824 0.60509 0.62088 0.64017 0.64609 0.65047 0.65975 0.67138 0.67919 0.68033 0.68715 0.69631 0.69996 0.70778 0.71444 0.71669 0.71955 0.72807 0.72900 0.73470 0.73837 0.74128 0.74946 0.75516 0.77194 0.77584 0.78080 0.79165 0.79338 0.79574 0.80865 0.81918 0.82297 0.83675 0.84664 0.85143 0.86235 0.88168 0.90196 0.90648 0.91866 0.92827 0.93913 0.95705 0.96763 0.97759 1.00002 1.01452 1.03175 1.03760 1.05000 1.06798 1.07835 1.08769 1.09960 1.11589 1.12976 1.13550 1.14347 1.15976 1.17360 1.18324 1.18806 1.20380 1.20642 1.21025 1.21374 1.22394 1.22887 1.23335 1.24019 1.25395 1.26145 1.26943 1.28676 1.29874 1.30755 1.31329 1.32242 1.33219 1.34807 1.35795 1.37347 1.38588 1.40092 1.40274 1.41142 1.42805 1.43299 1.44788 1.45247 1.46603 1.48531 1.49263 1.49561 1.51581 1.51906 1.52461 1.53862 1.55634 1.55640 1.56604 1.57305 1.58989 1.59424 1.59928 1.61152 1.61488 1.62600 1.63187 1.64948 1.65212 1.65660 1.66813 1.67568 1.68879 1.69141 1.71793 1.74446 1.75375 1.75512 1.77630 1.79683 1.79965 1.80672 1.81980 1.84011 1.84323 1.84494 1.85446 1.85936 1.87640 1.88289 1.89337 1.89728 1.90337 1.91723 1.92017 1.93223 1.94444 1.94623 1.95536 1.96084 1.96412 1.97109 1.97115 1.97541 1.98201 1.99724 2.01344 2.02417 2.03295 2.04451 2.04867 2.05206 2.06848 2.07248 2.08517 2.09786 2.11594 2.12291 2.12753 2.14400 2.16673 2.18081 2.19690 2.20795 2.20967 2.22974 2.24027 2.26763 2.27958 2.29159 2.30963 2.33323 2.35428 2.36122 2.39066 2.40358 2.40677 2.40937 2.42702 2.43516 2.45094 2.46732 2.47879 2.50389 2.50923 2.54083 2.55087 2.59046 2.59328 2.61408 2.63141 2.64474 2.68794 2.72057 2.72534 2.73797 2.74246 2.75557 2.77570 2.77825 2.78740 2.80854 2.81202 2.82548 2.85238 2.87322 2.88191 2.88647 2.90096 2.91503 2.93911 2.94853 2.96676 2.98465 2.99725 3.02154 3.02749 3.06333 3.07442 3.08102 3.08956 3.10182 3.11301 3.11657 3.12001 3.13968 3.14713 3.15046 3.15474 3.15718 3.16067 3.16135 3.16221 3.16984 3.17735 3.20518 3.21559 3.22069 3.24221 3.24732 3.27169 3.27840 3.29506 3.30024 3.30950 3.32024 3.33669 3.35146 3.39236 3.46967 3.50585 3.53420 3.53828 3.54634 3.56695 3.62335 3.64745 3.67630 3.69134 3.71259 3.73367 3.75510 3.77724 3.78060 3.78793 3.80030 3.96008 3.96690 3.98573 4.00543 -24.83460 -24.82658 -24.82494 -24.82374 -24.81914 -24.81257 -19.31536 -19.30294 -19.25917 -19.24407 -14.56749 -14.56038 -14.38969 -14.38648 -10.52652 -10.52307 -10.44336 -10.43434 -10.42393 -10.39723 -10.39650 -10.36061 -10.34460 -10.33290 -10.32704 -10.32638 -6.84100 -1.38728 -1.38244 -1.29494 -1.28989 -1.28355 -1.28021 -1.22103 -1.20483 -1.17607 -1.11979 -1.11199 -1.04880 -1.00925 -0.91283 -0.90111 -0.87937 -0.83235 -0.83023 -0.80054 -0.79920 -0.78423 -0.75969 -0.73921 -0.71365 -0.68865 -0.67640 -0.67223 -0.66578 -0.66400 -0.65928 -0.65705 -0.64182 -0.64120 -0.62819 -0.60742 -0.59846 -0.58807 -0.58686 -0.58334 -0.57946 -0.57259 -0.56501 -0.55170 -0.54374 -0.54293 -0.53731 -0.53529 -0.52797 -0.52070 -0.51796 -0.50883 -0.50430 -0.50317 -0.49685 -0.48941 -0.48220 -0.47720 -0.47590 -0.47167 -0.46701 -0.46497 -0.45254 -0.45161 -0.44225 -0.43765 -0.43683 -0.40054 -0.38832 -0.38429 -0.38244 -0.36035 -0.34146 -0.30366 -0.27300 -0.07048 0.01241 0.05227 0.06891 0.08584 0.10412 0.12468 0.13787 0.14216 0.15105 0.15924 0.17328 0.18549 0.19072 0.20178 0.20489 0.20667 0.21247 0.21529 0.22016 0.22499 0.22886 0.23011 0.23288 0.25877 0.26438 0.28647 0.29570 0.29706 0.31048 0.32145 0.32973 0.33443 0.34452 0.35732 0.36682 0.37832 0.38029 0.38473 0.38712 0.39770 0.40852 0.41353 0.43180 0.44204 0.45642 0.46180 0.47553 0.49156 0.49768 0.50941 0.51460 0.52019 0.52267 0.52501 0.53578 0.54202 0.54617 0.54638 0.55487 0.56075 0.57120 0.57671 0.58820 0.59999 0.60738 0.62179 0.64207 0.64775 0.65070 0.66117 0.67297 0.68115 0.68185 0.68873 0.69750 0.70041 0.71042 0.71497 0.71813 0.72167 0.72852 0.73009 0.73526 0.73902 0.74166 0.75080 0.75614 0.77296 0.77745 0.78170 0.79249 0.79435 0.79691 0.81061 0.82132 0.82452 0.83808 0.84785 0.85382 0.86443 0.88401 0.90331 0.90820 0.92144 0.92942 0.94110 0.95912 0.96977 0.97847 1.00179 1.01582 1.03373 1.03837 1.05273 1.07031 1.08039 1.09144 1.10132 1.11868 1.13267 1.13700 1.14390 1.16658 1.17817 1.18846 1.19162 1.20526 1.20716 1.21385 1.21577 1.22487 1.23065 1.23578 1.24255 1.25504 1.26211 1.27058 1.28817 1.29999 1.30899 1.31400 1.32311 1.33291 1.34980 1.35900 1.37414 1.38722 1.40318 1.40450 1.41245 1.42862 1.43490 1.44940 1.45480 1.46758 1.48652 1.49382 1.50073 1.51720 1.52073 1.52768 1.54492 1.55798 1.55924 1.57306 1.57505 1.59005 1.59487 1.60213 1.61232 1.61539 1.62676 1.63302 1.65059 1.65299 1.65679 1.66907 1.67687 1.69034 1.69291 1.72035 1.74883 1.75504 1.75669 1.77697 1.79839 1.80070 1.80712 1.82113 1.84089 1.84334 1.84662 1.85598 1.85993 1.87834 1.88460 1.89407 1.89823 1.90590 1.91750 1.92158 1.93252 1.94520 1.94756 1.95597 1.96130 1.96619 1.97237 1.97340 1.97720 1.98272 1.99770 2.01415 2.02647 2.03348 2.04590 2.04988 2.05320 2.06941 2.07396 2.08687 2.09896 2.11765 2.12655 2.12987 2.14674 2.16827 2.18156 2.19756 2.20897 2.21025 2.23012 2.24144 2.26835 2.28024 2.29173 2.31106 2.33373 2.35656 2.36422 2.39073 2.40528 2.40821 2.41338 2.43181 2.43676 2.45569 2.47071 2.47900 2.50601 2.50965 2.54437 2.55159 2.59171 2.59563 2.61769 2.63864 2.65098 2.69115 2.72388 2.72567 2.74089 2.74257 2.75856 2.77638 2.77841 2.78796 2.81144 2.81543 2.83395 2.85553 2.87763 2.88225 2.88799 2.90271 2.91556 2.93971 2.95241 2.96684 2.98709 2.99756 3.02164 3.02763 3.06339 3.07592 3.08154 3.09091 3.10336 3.11339 3.11685 3.12006 3.13974 3.14738 3.15073 3.15498 3.15741 3.16097 3.16172 3.16253 3.16998 3.17759 3.20569 3.21642 3.22176 3.24321 3.24882 3.27175 3.27841 3.29568 3.30102 3.30963 3.32096 3.33741 3.35175 3.39351 3.47116 3.50725 3.53423 3.53835 3.54654 3.56730 3.62442 3.64777 3.67669 3.69165 3.71263 3.73369 3.75510 3.77755 3.78104 3.78803 3.80081 3.96024 3.96718 3.98609 4.00555 2-A. -11.2788 2.5272 0.1352 11.5593 -127.5600 -114.8842 -158.5549 -22.0192 2.9990 -7.0722 6.1063 18.7822 -24.8885 -22.0192 2.9990 -7.0722 -91.9090 40.9074 -8.4879 -93.8741 31.0618 -15.6594 20.2519 -24.4845 -6.4121 -12.2570 -4972.0309 -2985.5578 -1459.8603 -209.9410 78.1346 -216.5880 117.0000 -7.5503 9.1886 -1209.1225 -1123.0737 -863.8642 -10.9172 28.2708 26.1135 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.7303,.6126,.54;-.9408,-.6306,.6125;.3601,1.0638,.5083;2.1949,-2.205,-1.4517;1.5704,-3.1026,-1.4526;2.6912,-1.9228,-.0517;1.4326,-1.0244,-2.0208;3.4062,-.9914,.2563;1.9057,.0676,-2.2041;.1845,-1.3594,-2.3218;2.3175,-2.8554,.7953;2.542,-2.5998,2.1743;2.187,-3.4873,2.708;3.6083,-2.4275,2.3754;1.9582,-1.7165,2.4703;-.6658,-.323,-2.7944;-1.6739,-.7482,-2.8251;-.6465,.5372,-2.1103;-.3525,.0086,-3.7947;1.6105,1.9782,.3148;3.6316,2.8121,-.0808;2.7655,3.8642,.0005;4.7,2.7908,-.2696;2.9315,4.9322,-.0962;2.8969,1.6737,.1216;1.5298,3.3188,.2455;3.2192,.6883,.0593;.6378,3.7964,.3384;.3421,-.3814,.6123;-.9587,1.6638,.479;-3.2285,.7246,.4069;-1.482,-2.037,.679;-2.0237,-2.3012,1.8741;-2.4363,-2.2306,-.2424;-.5312,-2.9426,.4675;-3.8668,-.1618,1.179;-3.6633,1.9357,.7357;-3.6119,.4922,-.8604;3.0792,-2.3594,-2.0887; 0.000000 1.474543 0.000000 2.138825 2.138735 0.000000 5.226222 4.070884 4.229983 0.000000 5.354296 4.084284 4.761154 1.093503 0.000000 5.131194 3.911880 3.829805 1.511963 2.147231 0.000000 4.386569 3.566845 3.450675 1.516165 2.158941 2.503759 0.000000 5.388611 4.376451 3.683133 2.420178 3.278336 1.213903 3.013500 0.000000 4.587846 4.064900 3.276959 2.411294 3.275317 3.035063 1.204121 3.070188 0.000000 3.968102 3.226073 3.729898 2.348069 2.390610 3.428447 1.326804 4.142534 2.238895 0.000000 5.336475 3.949699 4.390176 2.342543 2.381709 1.314100 3.473716 2.224918 4.208362 4.062570 0.000000 5.589580 4.294997 4.577933 3.663968 3.788302 2.331478 4.616489 2.648150 5.166268 5.226024 1.420308 0.000000 6.070831 4.726001 5.374746 4.352946 4.223612 3.212174 5.384909 3.705017 6.070045 5.816968 2.018591 1.094780 0.000000 6.411902 5.199186 5.121092 4.085881 4.388900 2.643237 5.101913 2.567901 5.486005 5.909906 2.084655 1.098721 1.803885 0.000000 4.770316 3.610364 3.759368 3.959378 4.178544 2.634455 4.574410 2.743066 5.003553 5.122227 2.057060 1.099343 1.801219 1.799313 0.000000 3.623109 3.431745 3.726081 3.678071 3.811495 4.620783 2.343870 5.131699 2.667216 1.421471 5.310359 6.337347 6.959021 7.030236 6.045150 0.000000 3.630353 3.516843 4.304935 4.356072 4.236997 5.303350 3.220749 5.946486 3.723563 2.020033 5.786133 6.796768 7.281779 7.600460 6.493864 1.094492 0.000000 2.864429 2.977278 2.854486 4.003338 4.312266 4.629279 2.601761 4.935733 2.596765 2.081443 5.360832 6.193996 6.887816 6.856755 5.731112 1.099196 1.794105 0.000000 4.588432 4.492021 4.487514 4.108352 4.343135 5.196620 2.720345 5.615869 2.762834 2.080688 6.033285 7.128208 7.807447 7.726149 6.896773 1.099483 1.805280 1.789716 0.000000 3.616148 3.661083 1.561094 4.578298 5.379556 4.064499 3.808152 3.470755 3.175233 4.485993 4.908593 5.028236 5.994252 5.258084 4.291598 4.488203 5.298998 3.612702 4.961937 0.000000 5.828680 5.765414 3.755844 5.395820 6.412058 4.827505 4.828875 3.825049 3.875466 5.857100 5.883454 5.963327 7.038943 5.786790 5.460488 5.971642 6.953817 5.253228 6.125867 2.221902 0.000000 5.574669 5.857930 3.726482 6.266567 7.216426 5.787784 5.455347 4.904381 4.473644 6.272197 6.781310 6.823434 7.855608 6.777667 6.156052 6.092479 6.997653 5.212147 6.244324 2.233879 1.365156 0.000000 6.837329 6.656047 4.735222 5.712354 6.776905 5.128458 5.319612 4.031826 4.354968 6.467200 6.220130 6.299871 7.388924 5.951371 5.944823 6.697931 7.725383 6.087020 6.759789 3.247603 1.085149 2.228732 0.000000 6.387189 6.814828 4.684256 7.301966 8.261359 6.859347 6.436699 5.952978 5.399899 7.216812 7.862447 7.876381 8.905354 7.793061 7.193033 6.916474 7.805349 6.014516 6.978910 3.261931 2.232700 1.085063 2.782586 0.000000 4.765749 4.503218 2.637586 4.244081 5.201036 3.606568 3.743480 2.716642 2.995086 4.746203 4.615449 4.754193 5.816310 4.733471 4.229814 5.018234 5.953213 4.339207 5.354310 1.336006 1.369931 2.197820 2.156870 3.265921 0.000000 4.247188 4.672943 2.553895 5.816746 6.642233 5.376940 4.899847 4.700861 4.087989 5.503254 6.248451 6.306659 7.267606 6.471182 5.521533 5.227260 6.019385 4.245402 5.551934 1.344804 2.186451 1.372786 3.254823 2.164394 2.142539 0.000000 4.973410 4.399015 2.918372 3.421045 4.401758 2.666291 3.232980 1.701503 2.689484 4.367119 3.729962 3.967801 5.051418 3.901802 3.631293 4.925418 5.858811 4.435513 5.298358 2.077736 2.168004 3.208712 2.592581 4.256436 1.038627 3.131760 0.000000 3.973032 4.708035 2.751976 6.453330 7.188442 6.089212 5.425616 5.531152 4.687800 5.819266 6.875829 6.921562 7.814568 7.191024 6.056489 5.336928 6.000420 4.274079 5.693031 2.062208 3.179230 2.155489 4.228751 2.596180 3.107499 1.016139 4.049926 0.000000 2.299632 1.306861 1.449042 3.319415 3.630070 2.887116 2.921665 3.144442 3.252527 3.096827 3.171202 3.492924 4.176353 4.238312 2.801100 3.553164 4.001823 3.038776 4.478486 2.695400 4.636834 4.926806 5.461917 5.953302 3.315364 3.903444 3.118992 4.197250 0.000000 1.305394 2.298323 1.449173 5.351596 5.731093 5.144618 4.381009 5.113822 4.236901 4.276767 5.590755 5.771186 6.434048 6.418126 4.888714 3.840293 4.152875 2.840985 4.622966 2.593525 4.764728 4.352102 5.818161 5.113415 3.872118 2.997701 4.310713 2.667692 2.427457 0.000000 1.508255 2.666916 3.606083 6.438180 6.413641 6.500986 5.538848 6.854667 5.797383 4.841276 6.612582 6.890146 7.236210 7.781602 6.092478 4.232386 3.877139 3.610905 5.141811 4.999609 7.187287 6.778755 8.221217 7.476854 6.205099 5.421986 6.457201 4.938536 3.743618 2.457548 0.000000 2.664903 1.508393 3.610713 4.252920 3.872457 4.238236 4.099892 5.016567 4.921198 3.498751 3.888406 4.329559 4.436393 5.379736 3.891777 3.958308 3.738507 3.886523 5.047223 5.081111 7.088016 7.302507 7.900918 8.285501 5.766690 6.159816 5.469229 6.215964 2.464246 3.742943 3.278862 0.000000 3.218109 2.356959 4.344063 5.372820 4.962552 5.107144 5.361631 5.815220 6.138711 4.834194 4.507508 4.585312 4.453345 5.655731 4.068486 5.249009 4.961545 5.082256 6.345410 5.826820 7.870840 8.028703 8.702436 8.986556 6.563818 6.845727 6.302295 6.828082 3.297650 4.336071 3.572046 1.338532 0.000000 3.032288 2.351041 4.385967 4.786560 4.275359 5.140339 4.425648 5.993260 5.289958 3.457167 4.905790 5.546232 5.626676 6.590127 5.189845 3.645024 3.073938 3.788611 4.687802 5.865245 7.891456 8.016588 8.725972 8.952135 6.619636 6.838433 6.371517 6.790610 3.445221 4.227301 3.127680 1.340617 2.157548 0.000000 3.752741 2.352475 4.104510 3.414506 2.851107 3.419570 3.705098 4.399378 4.705038 3.286200 2.868858 3.532021 3.564423 4.587045 3.422150 4.185731 4.118523 4.332173 5.187306 5.368805 7.123629 7.577572 7.796189 8.620913 5.760352 6.595590 5.235979 6.840862 2.709815 4.626176 4.552767 1.329975 2.148902 2.154192 0.000000 2.360638 3.016991 4.451845 6.916603 6.718392 6.901016 6.250336 7.378077 6.694802 5.486664 6.756415 6.928733 7.074268 7.902070 6.165631 5.104902 4.602812 4.656067 6.092432 5.943678 8.164415 7.847691 9.176422 8.590257 7.087686 6.489206 7.224141 6.055211 4.252543 3.504298 1.337618 3.074726 2.908112 2.889059 4.400640 0.000000 2.350555 3.743409 4.123092 7.499881 7.587146 7.475857 6.506039 7.666483 6.568569 5.917083 7.663479 7.819590 8.217344 8.637294 6.924482 5.152466 4.882709 4.376848 5.932969 5.290710 7.392566 6.751995 8.466761 7.291252 6.594080 5.396442 7.027245 4.703094 4.628967 2.730350 1.328151 4.532557 4.683543 4.452024 5.803465 2.153515 0.000000 2.348616 3.250358 4.239948 6.429875 6.334813 6.798245 5.393856 7.259571 5.694754 4.469600 7.007616 7.525994 7.886532 8.433691 6.855482 3.617213 3.025712 3.218399 4.412276 5.555400 7.645787 7.265206 8.644074 7.944398 6.687656 5.970745 6.895530 5.514916 4.308845 3.194695 1.344255 3.647386 4.219374 3.029485 4.801287 2.156820 2.152625 0.000000 6.235009 5.142552 5.084896 1.100756 1.798230 2.119051 2.120939 2.734432 2.698319 3.071418 3.023878 4.303445 5.007677 4.495855 4.738577 4.320950 5.072495 4.719321 4.504972 5.171899 5.575073 6.572422 5.697432 7.560333 4.602654 6.331723 3.731219 7.053033 4.324344 6.251682 7.451643 5.344956 6.461234 5.817803 4.461977 7.984671 8.478616 7.376451 0.000000 C12H12BF6N4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:1.7345,1.0673,-.4308;1.1414,-.2809,-.5013;-.3924,1.2058,-.6083;-1.9188,-2.2095,1.3663;-1.1753,-3.0042,1.473;-2.3151,-2.065,-.0857;-1.3908,-.9056,1.9319;-3.1233,-1.2636,-.5077;-2.0305,.1115,2.0104;-.142,-1.0393,2.3597;-1.7331,-2.9682,-.8422;-1.8596,-2.8088,-2.2479;-1.3322,-3.6566,-2.697;-2.9157,-2.8048,-2.5512;-1.3826,-1.8628,-2.5413;.5026,.1309,2.8453;1.5536,-.1392,2.9885;.4256,.9482,2.1143;.0514,.4558,3.7938;-1.7734,1.9331,-.5775;-3.9213,2.476,-.4089;-3.2109,3.6399,-.4736;-4.9888,2.3054,-.3136;-3.5363,4.6748,-.4528;-3.0155,1.4508,-.4809;-1.8922,3.2727,-.5779;-3.1981,.4323,-.3911;-1.0729,3.8723,-.6192;-.1581,-.2241,-.6278;.8182,1.9946,-.4976;3.1818,1.4048,-.1734;1.8819,-1.5936,-.4399;2.567,-1.8266,-1.5659;2.7622,-1.6038,.5712;1.0546,-2.6195,-.2613;4.0107,.5896,-.8348;3.4681,2.6514,-.5312;3.4722,1.2871,1.1339;-2.8285,-2.4649,1.931; 0.2431684 0.1739192 0.1324141 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 463 463 463 463 463 MxSgAt= 39 MxSgA2= 39. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 462 462 462 462 462 MxSgAt= 39 MxSgA2= 39. 1 0.7598 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C B C H C C O O O O C H H H C H H H C C C H H N N H H N N C C F F F F F F H 13 13 11 13 1 13 13 17 17 17 17 13 1 1 1 13 1 1 1 13 13 13 1 1 14 14 1 1 14 14 13 13 19 19 19 19 19 19 1 0.01940 0.02800 0.03904 0.00138 0.00016 -0.00004 0.00043 -0.00053 0.00294 -0.00049 0.00009 -0.00000 -0.00000 -0.00000 -0.00000 0.00171 -0.00003 0.00011 0.00010 -0.03719 -0.00193 0.00216 -0.00028 -0.00053 0.02930 0.02978 -0.00133 -0.00069 -0.01275 -0.00215 -0.01244 -0.01435 0.01078 0.00262 0.00203 0.00746 -0.00048 0.00989 0.00020 21.80619 31.47672 55.99787 1.55236 0.71841 -0.04667 0.48556 0.32097 -1.78319 0.29827 -0.05717 -0.00174 -0.00108 -0.00323 -0.00191 1.92743 -0.12272 0.49579 0.42830 -41.80635 -2.16618 2.43333 -1.25858 -2.37446 9.46553 9.62357 -5.92433 -3.07276 -4.11883 -0.69575 -13.98265 -16.12687 45.36745 11.04424 8.54833 31.37969 -2.01750 41.59530 0.88320 7.78099 11.23168 19.98143 0.55392 0.25635 -0.01665 0.17326 0.11453 -0.63628 0.10643 -0.02040 -0.00062 -0.00038 -0.00115 -0.00068 0.68776 -0.04379 0.17691 0.15283 -14.91754 -0.77295 0.86827 -0.44909 -0.84727 3.37754 3.43393 -2.11395 -1.09644 -1.46970 -0.24826 -4.98936 -5.75447 16.18823 3.94086 3.05026 11.19705 -0.71990 14.84224 0.31515 7.27376 10.49950 18.67888 0.51781 0.23964 -0.01557 0.16196 0.10706 -0.59481 0.09949 -0.01907 -0.00058 -0.00036 -0.00108 -0.00064 0.64292 -0.04094 0.16538 0.14287 -13.94510 -0.72256 0.81167 -0.41982 -0.79203 3.15736 3.21008 -1.97614 -1.02496 -1.37389 -0.23208 -4.66411 -5.37934 15.13295 3.68396 2.85142 10.46714 -0.67297 13.87470 0.29460 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.085879 -0.116890 -0.087215 0.000468 0.000248 0.000552 -0.001292 0.002820 -0.008343 -0.001008 -0.000008 -0.000048 -0.000081 0.000091 -0.000228 -0.002037 -0.001388 -0.003103 -0.001138 0.027377 -0.006269 -0.017231 0.003201 -0.001240 -0.089134 -0.085946 -0.004753 -0.000307 -0.050846 -0.085873 0.003265 -0.004367 -0.023199 0.010739 -0.010999 0.033978 -0.002988 0.032645 0.002655 -0.055342 -0.026822 -0.038853 0.000899 -0.000132 0.001176 0.000608 -0.000378 0.002771 0.002601 0.000855 0.000658 0.000488 0.000423 0.000918 0.003120 0.002127 0.001710 0.000378 0.007081 -0.003870 -0.009700 -0.001672 0.002849 -0.073673 -0.072573 0.007662 0.004301 -0.041788 -0.077750 -0.002845 0.003878 0.007487 -0.009200 0.006527 -0.017071 -0.002052 -0.026224 -0.001636 0.141222 0.143712 0.126069 -0.001367 -0.000117 -0.001728 0.000684 -0.002442 0.005572 -0.001593 -0.000848 -0.000609 -0.000408 -0.000515 -0.000690 -0.001083 -0.000739 0.001393 0.000760 -0.034458 0.010140 0.026931 -0.001529 -0.001609 0.162808 0.158519 -0.002908 -0.003994 0.092634 0.163623 -0.000420 0.000489 0.015712 -0.001540 0.004472 -0.016906 0.005040 -0.006421 -0.001018 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.040204 0.043797 0.036905 0.002904 0.001016 0.002081 0.000978 0.002426 0.001022 0.000654 0.000989 0.000733 0.000477 0.000681 0.000746 0.001952 -0.000446 -0.000700 -0.000109 -0.012860 0.001537 0.002486 0.000754 -0.003181 0.013618 0.004405 0.002603 0.006589 0.008853 0.008192 0.002850 -0.000959 -0.016201 -0.009034 0.006076 -0.012612 0.001327 -0.007248 0.002152 -0.075475 -0.073100 -0.065327 -0.001931 -0.001155 -0.000392 -0.000981 0.000541 -0.002133 -0.000476 -0.000279 0.000047 -0.000014 0.000135 0.000135 -0.000875 0.000046 0.001019 0.000107 0.013712 -0.005077 -0.008308 0.001244 -0.001043 -0.042692 -0.030438 0.001061 0.001663 -0.019407 -0.055768 0.001798 -0.001974 -0.018228 -0.015237 0.005132 0.011572 0.002575 0.034740 -0.003027 -0.119013 -0.164320 -0.124937 -0.002201 -0.001071 -0.000503 -0.003267 0.000692 -0.012706 -0.000877 -0.000231 0.000071 -0.000026 0.000172 0.000278 -0.003890 -0.001405 -0.005269 -0.001590 0.031757 -0.010091 -0.021313 0.000118 0.000842 -0.088168 -0.064766 0.004512 0.002806 -0.058040 -0.065509 -0.000422 0.001431 0.042779 0.004529 0.017098 -0.003287 0.001748 -0.003932 -0.002302 -0.605 0.7751 0.182 0.7497 0.4776 0.4581 -0.2681 -0.4136 0.8701 -0.1147 -0.1064 0.2211 -15.388 -14.276 29.664 -5.491 -5.094 10.585 -5.133 -4.762 9.895 1 C 13 0.9742 -0.066 0.2158 -0.0543 0.8597 0.5079 -0.219 -0.5065 0.834 -0.136 -0.1267 0.2627 -18.256 -16.995 35.252 -6.514 -6.064 12.579 -6.09 -5.669 11.759 2 C 13 -0.6776 0.7104 0.1904 0.6941 0.5321 0.4849 -0.2431 -0.4607 0.8536 -0.1075 -0.1046 0.2121 -18.414 -17.902 36.315 -6.57 -6.388 12.958 -6.142 -5.971 12.114 3 B 11 0.175 0.4041 0.8978 0.7698 -0.6247 0.1311 0.6138 0.6682 -0.4204 -0.0027 -0.0022 0.005 -0.367 -0.298 0.664 -0.131 -0.106 0.237 -0.122 -0.099 0.222 4 C 13 0.2364 0.561 0.7933 0.7448 -0.6289 0.2228 0.624 0.5382 -0.5665 -0.0012 -0.001 0.0022 -0.65 -0.509 1.159 -0.232 -0.182 0.414 -0.217 -0.17 0.387 5 H 1 0.0454 0.1347 0.9898 0.7618 -0.6456 0.0529 0.6462 0.7517 -0.132 -0.0018 -0.0012 0.0031 -0.243 -0.166 0.41 -0.087 -0.059 0.146 -0.081 -0.055 0.137 6 C 13 -0.0059 0.7121 0.7021 0.9702 -0.1659 0.1764 -0.2421 -0.6822 0.6899 -0.0026 -0.0016 0.0043 -0.352 -0.22 0.571 -0.125 -0.078 0.204 -0.117 -0.073 0.191 7 C 13 0.0622 -0.3491 0.935 -0.488 0.8066 0.3336 0.8706 0.477 0.1202 -0.0027 -0.0016 0.0042 0.193 0.113 -0.306 0.069 0.04 -0.109 0.064 0.038 -0.102 8 O 17 0.6866 0.5 0.5278 0.7216 -0.5573 -0.4108 -0.0887 -0.6629 0.7434 -0.0092 -0.0079 0.0172 0.669 0.573 -1.241 0.239 0.204 -0.443 0.223 0.191 -0.414 9 O 17 0.3928 0.1202 0.9117 0.9008 -0.25 -0.3551 0.1852 0.9608 -0.2064 -0.0019 -0.001 0.0029 0.138 0.072 -0.211 0.049 0.026 -0.075 0.046 0.024 -0.07 10 O 17 0.3662 -0.0825 0.9269 0.7521 -0.5603 -0.3471 0.5479 0.8242 -0.1431 -9.0E-4 -6.0E-4 0.0016 0.068 0.045 -0.112 0.024 0.016 -0.04 0.023 0.015 -0.037 11 O 17 -0.0453 -0.0293 0.9985 0.8459 -0.5329 0.0228 0.5315 0.8457 0.0489 -6.0E-4 -5.0E-4 0.0011 -0.082 -0.068 0.151 -0.029 -0.024 0.054 -0.027 -0.023 0.05 12 C 13 0.0055 0.026 0.9996 0.8696 -0.4938 0.008 0.4938 0.8692 -0.0253 -4.0E-4 -4.0E-4 8.0E-4 -0.218 -0.188 0.406 -0.078 -0.067 0.145 -0.073 -0.063 0.135 13 H 1 -0.0858 -0.1155 0.9896 0.7868 -0.6172 -0.0038 0.6113 0.7782 0.1439 -5.0E-4 -4.0E-4 0.001 -0.292 -0.237 0.528 -0.104 -0.084 0.188 -0.097 -0.079 0.176 14 H 1 -0.0559 -0.1407 0.9885 0.8977 -0.4404 -0.0119 0.437 0.8867 0.1509 -7.0E-4 -6.0E-4 0.0013 -0.393 -0.318 0.711 -0.14 -0.113 0.254 -0.131 -0.106 0.237 15 H 1 -0.2591 0.5468 0.7962 0.9314 -0.0768 0.3559 0.2557 0.8338 -0.4893 -0.0035 -0.0025 0.006 -0.466 -0.34 0.805 -0.166 -0.121 0.287 -0.155 -0.113 0.269 16 C 13 0.8418 0.2812 0.4607 -0.5297 0.2663 0.8053 -0.1037 0.922 -0.3731 -0.0015 -0.0012 0.0027 -0.807 -0.658 1.465 -0.288 -0.235 0.523 -0.269 -0.22 0.489 17 H 1 -0.3868 0.6098 0.6917 0.9144 0.3509 0.2019 -0.1196 0.7106 -0.6933 -0.0038 -0.0031 0.007 -2.039 -1.679 3.718 -0.728 -0.599 1.327 -0.68 -0.56 1.24 18 H 1 0.9943 0.1025 0.0299 -0.0964 0.7415 0.664 0.0459 -0.6631 0.7471 -0.0011 -0.001 0.0022 -0.612 -0.55 1.162 -0.218 -0.196 0.414 -0.204 -0.183 0.387 19 H 1 -0.2146 -0.4759 0.8529 0.4321 0.7369 0.5199 0.8759 -0.4801 -0.0475 -0.0556 0.0219 0.0337 -7.465 2.945 4.52 -2.664 1.051 1.613 -2.49 0.982 1.508 20 C 13 0.4041 0.768 0.4968 0.8872 -0.4612 -0.0087 -0.2224 -0.4443 0.8678 -0.0096 -0.007 0.0166 -1.287 -0.942 2.229 -0.459 -0.336 0.795 -0.429 -0.314 0.743 21 C 13 0.5593 0.7143 0.4207 0.8146 -0.5676 -0.1193 -0.1536 -0.4094 0.8993 -0.0203 -0.0177 0.0381 -2.725 -2.382 5.106 -0.972 -0.85 1.822 -0.909 -0.794 1.703 22 C 13 -0.2748 0.548 0.7901 0.0167 0.8243 -0.5659 0.9614 0.1423 0.2357 -0.0019 -0.0017 0.0036 -1.003 -0.927 1.93 -0.358 -0.331 0.689 -0.334 -0.309 0.644 23 H 1 0.8472 0.3987 0.3511 -0.2247 -0.33 0.9168 -0.4814 0.8557 0.19 -0.0032 -0.0017 0.0048 -1.691 -0.884 2.575 -0.603 -0.315 0.919 -0.564 -0.295 0.859 24 H 1 0.0737 0.943 0.3247 0.9854 -0.119 0.122 -0.1537 -0.3109 0.9379 -0.103 -0.0961 0.199 -3.971 -3.705 7.676 -1.417 -1.322 2.739 -1.325 -1.236 2.56 25 N 14 0.7018 0.6647 0.2562 -0.7031 0.7042 0.099 -0.1146 -0.2496 0.9615 -0.0929 -0.0861 0.179 -3.582 -3.32 6.902 -1.278 -1.185 2.463 -1.195 -1.107 2.302 26 N 14 0.9742 -0.1319 -0.1832 0.1237 -0.3667 0.9221 0.1888 0.9209 0.341 -0.0053 -0.0046 0.0099 -2.831 -2.433 5.264 -1.01 -0.868 1.878 -0.944 -0.812 1.756 27 H 1 0.6078 -0.5833 0.5388 -0.5632 0.1616 0.8103 0.5598 0.796 0.2303 -0.0052 -0.0046 0.0097 -2.751 -2.449 5.2 -0.982 -0.874 1.856 -0.918 -0.817 1.735 28 H 1 -0.1481 0.9329 0.3282 0.9809 0.0964 0.1688 -0.1258 -0.3469 0.9294 -0.0636 -0.0533 0.1169 -2.453 -2.056 4.51 -0.875 -0.734 1.609 -0.818 -0.686 1.504 29 N 14 0.7726 0.5593 0.3005 -0.6032 0.7943 0.0725 -0.1982 -0.2373 0.951 -0.1016 -0.09 0.1916 -3.92 -3.469 7.389 -1.399 -1.238 2.637 -1.308 -1.157 2.465 30 N 14 -0.3971 0.8737 0.2809 -0.1579 -0.3665 0.9169 0.9041 0.3198 0.2836 -0.0043 -6.0E-4 0.0048 -0.574 -0.075 0.649 -0.205 -0.027 0.232 -0.191 -0.025 0.217 31 C 13 0.9455 0.0498 0.3218 -0.2708 -0.4289 0.8618 -0.181 0.902 0.392 -0.0051 4.0E-4 0.0047 -0.683 0.053 0.63 -0.244 0.019 0.225 -0.228 0.018 0.21 32 C 13 0.1972 -0.6869 0.6995 0.9406 0.3337 0.0625 -0.2764 0.6456 0.7119 -0.0314 -0.0302 0.0616 -15.785 -15.147 30.932 -5.632 -5.405 11.037 -5.265 -5.052 10.318 33 F 19 0.5404 0.7291 0.4199 0.2629 -0.6204 0.7389 0.7992 -0.2889 -0.527 -0.0133 -0.0108 0.0241 -6.674 -5.406 12.08 -2.381 -1.929 4.31 -2.226 -1.803 4.029 34 F 19 0.928 -0.3632 0.0833 -0.3016 -0.6008 0.7403 0.2189 0.7121 0.667 -0.0129 -0.0115 0.0244 -6.487 -5.772 12.259 -2.315 -2.06 4.374 -2.164 -1.925 4.089 35 F 19 0.0878 0.8519 0.5163 -0.2934 -0.4732 0.8307 0.9519 -0.2244 0.2084 -0.0204 -0.0191 0.0395 -10.227 -9.603 19.83 -3.649 -3.427 7.076 -3.411 -3.203 6.615 36 F 19 0.8878 -0.4285 -0.1679 0.3566 0.8711 -0.3377 0.291 0.24 0.9261 -0.0041 -0.0022 0.0063 -2.067 -1.098 3.165 -0.738 -0.392 1.129 -0.689 -0.366 1.056 37 F 19 0.3222 0.8698 -0.3737 -0.3984 0.4826 0.78 0.8588 -0.1024 0.502 -0.0272 -0.0266 0.0538 -13.67 -13.357 27.027 -4.878 -4.766 9.644 -4.56 -4.455 9.015 38 F 19 -4.43742921e+00 9.94273489e-01 5.31780520e-02 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 6 6 5 6 1 6 6 8 8 8 8 6 1 1 1 6 1 1 1 6 6 6 1 1 7 7 1 1 7 7 6 6 9 9 9 9 9 9 1 0.039567654 0.109937919 -0.046805752 0.114768538 -0.016951964 0.044838385 -0.085752798 -0.047595484 0.002333832 -0.000016928 -0.001054040 -0.000034400 0.000115486 0.000571222 -0.000308971 -0.001629200 0.003886565 0.013415233 -0.003801000 -0.003795989 0.002332418 0.009626558 0.003136082 -0.008821851 0.001342461 0.001680792 -0.000620719 0.002245846 0.000931240 -0.002889371 -0.000657969 -0.003436046 -0.002551229 -0.001086445 0.000608853 -0.000380866 0.000152260 -0.000081189 -0.000169710 0.000049699 0.000134285 0.000175729 0.000109232 0.000390800 0.000080214 0.001267629 0.000142941 0.001086707 0.000060647 0.000227580 0.000182681 -0.000495603 0.000237125 -0.000274129 -0.000277759 0.000375738 -0.000130383 0.071378235 0.030926589 0.000328849 -0.003259951 -0.013223227 0.003884847 -0.014646171 0.003840601 -0.007794015 -0.000324518 -0.000534412 0.000199057 -0.000713419 0.000425809 0.000179301 -0.032156419 0.035994774 -0.028173019 0.007896321 -0.038093010 0.037414665 -0.006266318 -0.014527614 0.005404537 -0.007633630 -0.000782742 -0.010225534 -0.028002638 -0.054534833 0.019882045 -0.062523925 0.004750368 -0.019608792 -0.002641675 0.022521251 -0.010985664 0.015321033 -0.014501036 0.008906915 -0.001781287 0.003132088 -0.002083794 -0.002783886 -0.000429492 -0.002679723 -0.006899003 0.001980393 -0.001466094 -0.000194686 -0.001840180 0.003976094 -0.002848555 -0.008616387 0.002933448 0.002159594 -0.003638767 0.000381901 0.000332592 -0.002196603 -0.001932842 0.114768538 0.023437305 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 0.7589 0.7919 0.7581 0.7583 0.7580 0.7578 0.7577 0.7574 0.7568 0.7565 0.7556 0.7560 0.7561 0.7562 0.7559 0.7559 0.7560 0.7560 0.7560 0.7560 0.7559 0.7559 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7558 0.7557 0.7559 0.7558 0.7559 0.7560 0.7561 0.7561 0.7561 0.7562 0.7562 0.7564 0.7563 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 0.7564 open 1 1 1 -1606.72032948819 -1606.72033007706 -0.000000588878 -1606.72033010931 -0.000000032242 -1606.72033011005 -0.000000000740 -1606.72033011060 -0.000000000549 -1606.72033011062 -0.000000000027 -1606.72033011 6 0.7564 1.594458830433e+03 -9.544175840980e+03 3.460882441322e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572420272 LenY= 1572203582 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7564 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C B C H C C O O O O C H H H C H H H C C C H H N N H H N N C C F F F F F F H 13 13 11 13 1 13 13 17 17 17 17 13 1 1 1 13 1 1 1 13 13 13 1 1 14 14 1 1 14 14 13 13 19 19 19 19 19 19 1 0.03184 0.03476 0.04078 0.00059 0.00000 -0.00012 -0.00050 -0.00078 0.00525 -0.00068 -0.00012 0.00020 0.00001 -0.00000 0.00001 0.00024 0.00020 0.00002 0.00004 -0.03058 -0.00061 0.00026 -0.00024 -0.00030 0.01545 0.01651 -0.00076 -0.00083 -0.00985 -0.00876 -0.01660 -0.01710 0.01748 0.01183 -0.00050 0.00803 0.00045 0.01712 -0.00003 35.79402 39.07527 58.49367 0.66073 0.00119 -0.13608 -0.56068 0.47340 -3.18017 0.40971 0.07061 0.22462 0.02795 -0.01338 0.02376 0.27182 0.87317 0.10474 0.16482 -34.38140 -0.68081 0.29661 -1.08532 -1.32711 4.99040 5.33462 -3.41160 -3.69961 -3.18320 -2.83039 -18.66524 -19.22185 73.56281 49.77524 -2.08791 33.79872 1.90749 72.04171 -0.15133 12.77220 13.94303 20.87200 0.23576 0.00042 -0.04856 -0.20006 0.16892 -1.13477 0.14620 0.02519 0.08015 0.00997 -0.00477 0.00848 0.09699 0.31157 0.03738 0.05881 -12.26814 -0.24293 0.10584 -0.38727 -0.47355 1.78070 1.90353 -1.21734 -1.32011 -1.13584 -1.00996 -6.66022 -6.85883 26.24904 17.76104 -0.74502 12.06022 0.68064 25.70627 -0.05400 11.93960 13.03411 19.51139 0.22039 0.00040 -0.04539 -0.18702 0.15791 -1.06079 0.13666 0.02355 0.07492 0.00932 -0.00446 0.00793 0.09067 0.29126 0.03494 0.05498 -11.46840 -0.22709 0.09894 -0.36202 -0.44268 1.66462 1.77944 -1.13799 -1.23406 -1.06180 -0.94412 -6.22605 -6.41172 24.53791 16.60323 -0.69645 11.27404 0.63627 24.03053 -0.05048 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.133986 -0.153161 -0.101999 -0.000272 -0.000564 0.000578 -0.000115 0.001492 0.002743 0.000009 -0.000357 -0.000319 -0.000460 0.000144 -0.000594 -0.002122 -0.001787 -0.003392 -0.001264 0.024888 -0.005989 -0.009043 0.002853 -0.000988 -0.049898 -0.056456 0.000088 0.001426 -0.052401 -0.065544 0.001657 -0.005716 0.003584 0.022992 -0.005128 0.031532 -0.005738 0.044495 0.000090 -0.148360 -0.149216 -0.102271 0.001294 0.001243 0.001291 0.000542 -0.000003 -0.008647 -0.000032 0.001744 0.001319 0.000954 0.000408 0.001300 -0.002708 -0.002343 -0.005087 -0.001578 0.017770 -0.008284 -0.009891 -0.001637 0.002248 -0.057579 -0.057121 0.003458 0.002814 -0.066307 -0.055573 -0.003018 0.004165 0.029361 0.003742 0.001860 -0.019077 0.004815 -0.032878 0.000300 0.282346 0.302377 0.204269 -0.001021 -0.000679 -0.001869 -0.000427 -0.001489 0.005904 0.000023 -0.001388 -0.001000 -0.000494 -0.000552 -0.000707 0.004830 0.004130 0.008479 0.002842 -0.042658 0.014273 0.018933 -0.001216 -0.001260 0.107477 0.113577 -0.003546 -0.004240 0.118708 0.121116 0.001361 0.001551 -0.032945 -0.026733 0.003268 -0.012455 0.000923 -0.011617 -0.000390 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.005088 -0.002347 0.000493 0.001729 0.001081 0.002453 0.000956 0.002041 0.012323 0.000480 0.001648 0.001537 0.000730 0.001007 0.001976 -0.001007 -0.000372 -0.001320 -0.000116 -0.002468 -0.000886 -0.001580 0.000248 -0.001906 -0.000460 -0.003611 0.002565 0.002186 0.006361 -0.004674 0.004749 -0.001995 -0.053182 -0.040631 0.003114 -0.012837 0.006471 0.020199 0.000978 -0.064935 -0.047701 -0.008093 -0.001000 -0.000624 -0.000405 -0.001874 0.000154 -0.020272 -0.001601 0.000164 0.000627 0.000374 0.000566 0.001497 -0.000107 0.000981 -0.000145 -0.000483 -0.004679 0.001947 0.000548 -0.000338 -0.000032 0.018618 0.008934 0.000010 -0.000026 -0.020529 -0.032347 -0.000395 -0.000609 -0.015045 0.002446 0.000848 0.019891 0.004372 0.047877 -0.000736 -0.006912 0.003740 -0.013610 -0.001282 -0.001300 -0.000392 -0.002290 -0.000085 -0.013695 -0.001993 0.000226 0.000965 0.000885 0.000657 0.002276 -0.002062 -0.001353 0.000396 -0.000308 -0.000194 0.000525 0.000017 -0.000051 0.000064 0.006092 0.003382 -0.000482 -0.000178 0.011866 -0.003298 0.000224 -0.000801 0.020241 -0.002428 0.006355 -0.004990 0.008395 0.011895 -0.000800 -0.4962 0.8661 -0.0606 0.855 0.4996 0.1391 -0.1507 -0.0172 0.9884 -0.1508 -0.1416 0.2924 -20.235 -18.998 39.233 -7.22 -6.779 13.999 -6.75 -6.337 13.087 1 C 13 0.9735 0.2059 0.0991 -0.204 0.9785 -0.0297 -0.1031 0.0087 0.9946 -0.1585 -0.1488 0.3074 -21.271 -19.973 41.244 -7.59 -7.127 14.717 -7.095 -6.662 13.757 2 C 13 -0.1912 0.9808 0.0384 0.9812 0.19 0.0343 -0.0264 -0.0443 0.9987 -0.1029 -0.1022 0.2051 -17.618 -17.496 35.114 -6.287 -6.243 12.529 -5.877 -5.836 11.713 3 B 11 0.5005 0.0795 0.8621 0.6968 -0.6279 -0.3467 0.5137 0.7742 -0.3697 -0.0017 -0.0013 0.0031 -0.231 -0.179 0.41 -0.082 -0.064 0.146 -0.077 -0.06 0.137 4 C 13 0.2219 0.3616 0.9056 0.8956 -0.4428 -0.0426 0.3856 0.8205 -0.4221 -0.0014 -0.0011 0.0024 -0.721 -0.57 1.291 -0.257 -0.203 0.461 -0.24 -0.19 0.431 5 H 1 0.1637 -0.0048 0.9865 0.7408 -0.6598 -0.1261 0.6515 0.7514 -0.1045 -0.0019 -0.0015 0.0035 -0.26 -0.206 0.466 -0.093 -0.074 0.166 -0.087 -0.069 0.155 6 C 13 0.4161 0.4415 0.7949 0.7692 -0.6371 -0.0488 0.4849 0.6318 -0.6048 -0.0027 -8.0E-4 0.0035 -0.36 -0.106 0.465 -0.128 -0.038 0.166 -0.12 -0.035 0.155 7 C 13 -0.3749 0.5134 0.7719 -0.4325 0.6396 -0.6354 0.82 0.5721 0.0177 -0.0016 -0.0013 0.0029 0.117 0.094 -0.211 0.042 0.034 -0.075 0.039 0.031 -0.07 8 O 17 -0.079 0.884 0.4608 0.7813 -0.2322 0.5793 -0.6191 -0.4058 0.6723 -0.0169 -0.0159 0.0328 1.222 1.154 -2.376 0.436 0.412 -0.848 0.408 0.385 -0.793 9 O 17 0.3888 0.5558 0.7348 0.7848 -0.6176 0.0518 -0.4826 -0.5565 0.6763 -0.0023 -5.0E-4 0.0028 0.169 0.034 -0.203 0.06 0.012 -0.072 0.056 0.011 -0.068 10 O 17 -0.226 0.0482 0.9729 0.8475 -0.4827 0.2208 0.4803 0.8745 0.0682 -0.0014 -0.0013 0.0027 0.102 0.091 -0.193 0.037 0.032 -0.069 0.034 0.03 -0.064 11 O 17 -0.3849 -0.1086 0.9166 0.7802 -0.5689 0.2602 0.4932 0.8152 0.3037 -0.0014 -0.0012 0.0026 -0.185 -0.165 0.35 -0.066 -0.059 0.125 -0.062 -0.055 0.117 12 C 13 -0.1518 -0.3735 0.9151 0.9218 -0.3877 -0.0053 0.3568 0.8427 0.4031 -9.0E-4 -8.0E-4 0.0017 -0.489 -0.411 0.9 -0.175 -0.146 0.321 -0.163 -0.137 0.3 13 H 1 -0.2056 -0.3094 0.9285 0.7636 -0.6441 -0.0455 0.6121 0.6996 0.3686 -9.0E-4 -7.0E-4 0.0016 -0.478 -0.395 0.873 -0.171 -0.141 0.311 -0.159 -0.132 0.291 14 H 1 -0.3557 -0.3553 0.8644 0.8095 -0.5795 0.0949 0.4672 0.7335 0.4937 -0.0023 -0.0018 0.0041 -1.205 -0.978 2.183 -0.43 -0.349 0.779 -0.402 -0.326 0.728 15 H 1 0.5077 0.8367 0.2055 0.8613 -0.4874 -0.1435 0.0198 -0.2499 0.9681 -0.0038 -0.0015 0.0054 -0.513 -0.206 0.719 -0.183 -0.073 0.257 -0.171 -0.069 0.24 16 C 13 0.233 0.9596 0.1576 0.9591 -0.1999 -0.2005 0.1609 -0.1979 0.9669 -0.0027 -0.0019 0.0046 -1.417 -1.021 2.438 -0.506 -0.364 0.87 -0.473 -0.341 0.813 17 H 1 0.4775 0.8784 -0.0195 0.8785 -0.4769 0.0284 -0.0156 0.0307 0.9994 -0.0058 -0.0027 0.0085 -3.102 -1.43 4.532 -1.107 -0.51 1.617 -1.035 -0.477 1.512 18 H 1 0.3929 0.9136 0.1045 0.9127 -0.4013 0.0774 -0.1126 -0.065 0.9915 -0.0017 -0.0013 0.0029 -0.887 -0.669 1.556 -0.317 -0.239 0.555 -0.296 -0.223 0.519 19 H 1 0.069 0.006 0.9976 0.2859 0.9579 -0.0255 0.9558 -0.287 -0.0644 -0.043 0.017 0.0259 -5.768 2.286 3.481 -2.058 0.816 1.242 -1.924 0.763 1.161 20 C 13 0.3496 0.9355 -0.0511 0.9322 -0.3527 -0.0811 0.0939 0.0193 0.9954 -0.0086 -0.0058 0.0145 -1.16 -0.781 1.941 -0.414 -0.279 0.693 -0.387 -0.261 0.648 21 C 13 0.6098 0.7925 -0.0116 0.7923 -0.6099 -0.0158 0.0196 -5.0E-4 0.9998 -0.0111 -0.0078 0.0189 -1.49 -1.052 2.542 -0.532 -0.375 0.907 -0.497 -0.351 0.848 22 C 13 -0.0491 0.9958 0.0773 0.0865 -0.0729 0.9936 0.995 0.0554 -0.0825 -0.0017 -0.0012 0.0029 -0.882 -0.663 1.544 -0.315 -0.236 0.551 -0.294 -0.221 0.515 23 H 1 0.9075 0.42 0.0032 0.004 -0.0161 0.9999 -0.42 0.9074 0.0163 -0.0019 -0.0013 0.0031 -0.998 -0.673 1.671 -0.356 -0.24 0.596 -0.333 -0.225 0.557 24 H 1 0.1863 0.9808 -0.0571 0.9757 -0.1915 -0.1067 0.1156 0.0358 0.9927 -0.058 -0.0518 0.1099 -2.238 -1.999 4.237 -0.798 -0.713 1.512 -0.746 -0.667 1.413 25 N 14 0.6934 0.7189 -0.0495 0.7187 -0.6949 -0.0244 0.0519 0.0186 0.9985 -0.0608 -0.0533 0.1141 -2.346 -2.054 4.401 -0.837 -0.733 1.57 -0.783 -0.685 1.468 26 N 14 -0.0671 0.0923 0.9935 0.8787 -0.4661 0.1027 0.4725 0.8799 -0.0498 -0.0036 -0.0013 0.0049 -1.916 -0.678 2.595 -0.684 -0.242 0.926 -0.639 -0.226 0.865 27 H 1 -0.006 0.0271 0.9996 0.8072 -0.5898 0.0208 0.5902 0.8071 -0.0184 -0.0042 -2.0E-4 0.0044 -2.265 -0.092 2.356 -0.808 -0.033 0.841 -0.755 -0.031 0.786 28 H 1 -0.4275 0.8982 -0.1026 0.8967 0.4357 0.078 -0.1147 0.0587 0.9917 -0.0707 -0.0511 0.1218 -2.726 -1.971 4.697 -0.973 -0.703 1.676 -0.909 -0.657 1.567 29 N 14 0.9428 0.291 0.1624 -0.2891 0.9566 -0.0354 -0.1657 -0.0136 0.9861 -0.0726 -0.054 0.1266 -2.798 -2.084 4.883 -0.999 -0.744 1.742 -0.933 -0.695 1.629 30 N 14 -0.5285 0.8472 -0.0542 0.0279 0.0811 0.9963 0.8485 0.5251 -0.0665 -0.006 0.0014 0.0046 -0.804 0.184 0.621 -0.287 0.065 0.222 -0.268 0.061 0.207 31 C 13 0.9758 0.1958 0.0971 -0.1349 0.1898 0.9725 -0.172 0.9621 -0.2116 -0.0062 0.0015 0.0047 -0.829 0.198 0.63 -0.296 0.071 0.225 -0.276 0.066 0.21 32 C 13 -0.3406 -0.4994 0.7966 0.7226 0.403 0.5617 -0.6016 0.7669 0.2236 -0.0392 -0.0378 0.077 -19.688 -18.972 38.66 -7.025 -6.77 13.795 -6.567 -6.328 12.895 33 F 19 0.5955 0.7685 0.2339 -0.1771 -0.1584 0.9714 0.7836 -0.6199 0.0417 -0.0285 -0.0268 0.0553 -14.305 -13.451 27.756 -5.104 -4.8 9.904 -4.771 -4.487 9.258 34 F 19 0.8423 -0.4839 0.2373 -0.5061 -0.5588 0.657 0.1853 0.6735 0.7156 -0.0067 -0.0028 0.0095 -3.354 -1.402 4.756 -1.197 -0.5 1.697 -1.119 -0.468 1.586 35 F 19 0.197 0.9755 0.0977 -0.3636 -0.0199 0.9313 0.9105 -0.219 0.3508 -0.0222 -0.0201 0.0423 -11.134 -10.102 21.236 -3.973 -3.605 7.578 -3.714 -3.37 7.084 36 F 19 0.9187 -0.3871 -0.0785 -0.1636 -0.5538 0.8164 0.3595 0.7372 0.5721 -0.0088 -0.0056 0.0145 -4.439 -2.837 7.276 -1.584 -1.012 2.596 -1.481 -0.946 2.427 37 F 19 -0.447 -0.2107 0.8694 -0.284 0.955 0.0854 0.8483 0.2087 0.4867 -0.0391 -0.0378 0.0769 -19.643 -18.995 38.638 -7.009 -6.778 13.787 -6.552 -6.336 12.888 38 F 19 PT132921.200S 2024-09-26T01:18:37.000 -24.83201 -24.83126 -24.82936 -24.82860 -24.82823 -24.82773 -19.31386 -19.30728 -19.26038 -19.24882 -14.54789 -14.53179 -14.40769 -14.40455 -10.52852 -10.52651 -10.45039 -10.43732 -10.38915 -10.37839 -10.37513 -10.35503 -10.34986 -10.34147 -10.33935 -10.32489 -6.84910 -1.39253 -1.38935 -1.29718 -1.29433 -1.29413 -1.29174 -1.22186 -1.20978 -1.17913 -1.12485 -1.11436 -1.04406 -1.03743 -0.93735 -0.89996 -0.89664 -0.83659 -0.83469 -0.79769 -0.79621 -0.78102 -0.75356 -0.74017 -0.70262 -0.69741 -0.67800 -0.67690 -0.67196 -0.66947 -0.66775 -0.65747 -0.63901 -0.62990 -0.61785 -0.61064 -0.59576 -0.59095 -0.58518 -0.57786 -0.57682 -0.57028 -0.56502 -0.55545 -0.54949 -0.54763 -0.54617 -0.54099 -0.53798 -0.52083 -0.51798 -0.51501 -0.51305 -0.50349 -0.50204 -0.50004 -0.49582 -0.48263 -0.48046 -0.47993 -0.47832 -0.46513 -0.45474 -0.45039 -0.44653 -0.44343 -0.43892 -0.40058 -0.39478 -0.38412 -0.37236 -0.36793 -0.36016 -0.35808 -0.33456 -0.25908 0.03131 0.06034 0.06883 0.08643 0.09818 0.12163 0.15149 0.15970 0.16679 0.16845 0.17272 0.18698 0.19593 0.20393 0.20985 0.21653 0.21893 0.21933 0.22446 0.23221 0.23295 0.24112 0.25498 0.27624 0.28350 0.28961 0.29322 0.30636 0.31208 0.31828 0.32532 0.33221 0.33284 0.34598 0.35962 0.36390 0.37013 0.39117 0.40195 0.40820 0.41638 0.42758 0.42956 0.44563 0.45375 0.46285 0.47425 0.48893 0.50594 0.50756 0.52026 0.52063 0.52472 0.53299 0.53663 0.53944 0.54777 0.54985 0.56325 0.56662 0.57936 0.58597 0.59269 0.59906 0.60875 0.60956 0.62318 0.63636 0.64113 0.64562 0.66074 0.67487 0.69106 0.69261 0.69975 0.70761 0.71358 0.71778 0.72292 0.72724 0.73043 0.73466 0.73731 0.74032 0.74410 0.75549 0.75642 0.76406 0.77122 0.78517 0.78768 0.79304 0.79732 0.80760 0.81004 0.82771 0.83102 0.85135 0.86145 0.87003 0.87456 0.88364 0.90116 0.91544 0.93348 0.94144 0.95535 0.99727 1.00939 1.02632 1.02966 1.04096 1.05516 1.06613 1.07871 1.09027 1.10265 1.11410 1.11902 1.14460 1.15831 1.16181 1.17336 1.18143 1.18762 1.19417 1.20366 1.20964 1.21537 1.22355 1.23160 1.23636 1.25115 1.25612 1.25741 1.28202 1.29332 1.30032 1.30317 1.32059 1.33023 1.34120 1.34717 1.35705 1.37779 1.38810 1.39425 1.40451 1.41142 1.41511 1.42951 1.44075 1.44886 1.45045 1.47021 1.47540 1.49023 1.49812 1.50771 1.53070 1.53280 1.54325 1.55049 1.56239 1.57169 1.57974 1.58202 1.58847 1.59618 1.60121 1.61446 1.62183 1.63395 1.63868 1.65066 1.66010 1.66902 1.67382 1.68655 1.69353 1.71950 1.74049 1.76305 1.77625 1.78348 1.79391 1.80343 1.81511 1.84149 1.85001 1.85935 1.86114 1.86931 1.87896 1.88427 1.88922 1.89771 1.90149 1.90815 1.91076 1.92346 1.93254 1.93628 1.95693 1.95985 1.97287 1.98262 1.99047 1.99207 1.99472 1.99587 2.00142 2.01234 2.02307 2.02845 2.04044 2.05846 2.06618 2.08388 2.09210 2.09876 2.10081 2.10747 2.12202 2.13162 2.14717 2.15661 2.18495 2.21152 2.21611 2.22578 2.24424 2.25318 2.26565 2.28567 2.30379 2.31474 2.33252 2.34467 2.37033 2.39770 2.40460 2.40858 2.42170 2.43524 2.45348 2.46465 2.46671 2.48170 2.50290 2.52298 2.54648 2.56024 2.57049 2.60989 2.62649 2.65129 2.72524 2.73395 2.73898 2.74115 2.75389 2.76244 2.76730 2.77551 2.78772 2.79193 2.80746 2.82577 2.85764 2.86326 2.88151 2.88552 2.90102 2.90989 2.91884 2.93999 2.95578 2.96825 2.97647 2.99127 3.01212 3.02960 3.06633 3.07640 3.09635 3.10725 3.11030 3.12336 3.13487 3.14166 3.14380 3.14899 3.15035 3.15284 3.15465 3.15530 3.15669 3.16305 3.16537 3.17239 3.18642 3.20679 3.20837 3.23929 3.26479 3.27406 3.28251 3.29060 3.29717 3.30232 3.31717 3.34938 3.35421 3.42272 3.50223 3.53192 3.53386 3.53908 3.56673 3.63590 3.64579 3.67598 3.68349 3.69132 3.71766 3.74181 3.76451 3.77685 3.77944 3.78230 3.79461 3.95556 3.95742 3.96470 4.01292 -24.83200 -24.83101 -24.82917 -24.82823 -24.82819 -24.82736 -19.31386 -19.30730 -19.26039 -19.24863 -14.54692 -14.53087 -14.40726 -14.40407 -10.52878 -10.52676 -10.45039 -10.43734 -10.38995 -10.37822 -10.37501 -10.35503 -10.34984 -10.33839 -10.33644 -10.32488 -6.84651 -1.39212 -1.38897 -1.29694 -1.29401 -1.29346 -1.29103 -1.22186 -1.20973 -1.17794 -1.12484 -1.11412 -1.03701 -1.03511 -0.93332 -0.89902 -0.89655 -0.83654 -0.82790 -0.79765 -0.79444 -0.78007 -0.75302 -0.73545 -0.70044 -0.69519 -0.67739 -0.67664 -0.67067 -0.66861 -0.66719 -0.65740 -0.63374 -0.62912 -0.61773 -0.61007 -0.59100 -0.58851 -0.58265 -0.57721 -0.57597 -0.56987 -0.56478 -0.55484 -0.54798 -0.54671 -0.54355 -0.54025 -0.53630 -0.52008 -0.51639 -0.51336 -0.51022 -0.50270 -0.50122 -0.49924 -0.49554 -0.48227 -0.47998 -0.47856 -0.46476 -0.45633 -0.45171 -0.44774 -0.44569 -0.43943 -0.43592 -0.40042 -0.39349 -0.38396 -0.36742 -0.36503 -0.35443 -0.34829 -0.33294 -0.04583 0.04700 0.06273 0.07221 0.09250 0.12104 0.12213 0.15134 0.15975 0.16688 0.16855 0.17282 0.18862 0.19931 0.20956 0.21200 0.21705 0.21896 0.21982 0.22436 0.23345 0.23598 0.24199 0.25644 0.27639 0.28408 0.29219 0.29736 0.31005 0.31272 0.31900 0.32862 0.33265 0.33367 0.35257 0.36197 0.36703 0.37686 0.39313 0.40407 0.40924 0.41878 0.42911 0.43184 0.44927 0.45854 0.46381 0.48047 0.49245 0.50608 0.51023 0.52112 0.52228 0.52574 0.53437 0.53754 0.54059 0.54969 0.55040 0.56385 0.56737 0.57961 0.58658 0.59364 0.60083 0.60967 0.61153 0.62469 0.63705 0.64359 0.64663 0.66133 0.67626 0.69176 0.69331 0.70035 0.70853 0.71452 0.71889 0.72383 0.72794 0.73083 0.73568 0.73902 0.74106 0.74598 0.75594 0.75743 0.76441 0.77276 0.78610 0.78896 0.79399 0.79843 0.80829 0.81159 0.82900 0.83306 0.85407 0.86370 0.87151 0.87719 0.88550 0.90281 0.91799 0.93442 0.94162 0.95607 0.99909 1.01055 1.02796 1.03176 1.04258 1.05730 1.06730 1.08021 1.09554 1.10783 1.11527 1.11967 1.14585 1.16043 1.16267 1.18047 1.18295 1.18982 1.19818 1.20728 1.21029 1.21658 1.22713 1.23322 1.23740 1.25325 1.25735 1.25876 1.28301 1.29477 1.30206 1.30552 1.32129 1.33130 1.34244 1.34865 1.35744 1.37879 1.38949 1.39478 1.40613 1.41271 1.41735 1.43027 1.44212 1.45058 1.45357 1.47278 1.47733 1.49250 1.50124 1.51373 1.53182 1.53399 1.54563 1.55255 1.56598 1.57336 1.58098 1.58535 1.59284 1.59893 1.60473 1.61566 1.62350 1.63436 1.63989 1.65243 1.66093 1.67041 1.67442 1.68793 1.69369 1.72067 1.74320 1.76413 1.77681 1.78392 1.79525 1.80414 1.81562 1.84203 1.85118 1.85963 1.86231 1.87058 1.87946 1.88577 1.89148 1.89926 1.90331 1.90874 1.91595 1.92601 1.93554 1.93655 1.95756 1.96092 1.97502 1.98367 1.99127 1.99308 1.99579 1.99779 2.00251 2.01392 2.02353 2.02891 2.04172 2.06001 2.06754 2.08567 2.09320 2.10106 2.10357 2.10843 2.12364 2.13471 2.14799 2.15770 2.18658 2.21157 2.21614 2.22572 2.24550 2.25338 2.26582 2.28657 2.30483 2.31522 2.34040 2.34713 2.37205 2.39778 2.40478 2.40992 2.42383 2.43622 2.45613 2.46628 2.47117 2.48630 2.50455 2.52766 2.54920 2.56229 2.57344 2.61019 2.62664 2.65950 2.72657 2.73554 2.74133 2.74517 2.75404 2.76378 2.76823 2.77744 2.78853 2.79331 2.81032 2.82952 2.86249 2.86744 2.88379 2.88821 2.90218 2.91042 2.91916 2.94182 2.95779 2.96879 2.97832 2.99134 3.01233 3.02969 3.06721 3.07662 3.09788 3.10763 3.11070 3.12364 3.13501 3.14204 3.14426 3.14931 3.15062 3.15311 3.15491 3.15567 3.15693 3.16349 3.16577 3.17339 3.18754 3.20759 3.20927 3.24000 3.26493 3.27497 3.28317 3.29097 3.29759 3.30320 3.31734 3.34991 3.35500 3.42364 3.50362 3.53197 3.53408 3.53916 3.56741 3.63660 3.64623 3.67650 3.68387 3.69172 3.71771 3.74207 3.76517 3.77690 3.77974 3.78246 3.79507 3.95599 3.95780 3.96488 4.01308 2-A. -3.08515586e+00 1.01120389e+00 -6.90376562e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.8417 2.5702 -0.1755 8.2540 -145.8855 -128.4337 -142.4735 -12.1521 6.5342 -1.3602 -6.9546 10.4972 -3.5426 -12.1521 6.5342 -1.3602 -33.9066 47.9299 7.8848 -68.0539 24.2614 -4.0288 25.4482 -30.9765 -15.5882 10.3993 -4744.6166 -3004.9210 -1409.8353 -182.6603 12.5084 -196.3138 3.4391 12.4841 67.5515 -1225.9261 -1098.3221 -788.7778 -28.8460 30.2929 82.3595 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -1606.7203301 0.756435 0. 0.750031 7.191E-9 6.03E-6 -6.6829797,10.2513365,-3.5683568,7.1363361,4.6106161,0.3360958 C01 [X(C12H12B1F6N4O4)] 2.8960995 1.4442661 -0.2686807 0.000004075 0.000012242 -0.000003839 0.000006687 -0.000002233 0.000002938 0.000001155 0.000000319 -0.000001678 0.000002979 0.000009156 0.000008594 0.000000061 0.000000847 -0.000004531 -0.000018029 -0.000006771 0.000012042 -0.000005567 0.000000824 -0.000002770 0.000011294 0.000000807 0.000004167 0.000000659 0.000000304 0.000001462 0.000009194 -0.000000875 -0.000008437 0.000011303 0.000001770 -0.000001054 -0.000003218 0.000000121 -0.000005757 -0.000001417 0.000000313 0.000001034 0.000000571 -0.000002244 0.000000216 -0.000002058 0.000000256 -0.000000744 -0.000007469 0.000003587 0.000001790 0.000000901 0.000001525 0.000000129 0.000003586 0.000001459 0.000000014 -0.000001196 -0.000003201 -0.000000999 0.000002355 -0.000006034 -0.000000260 0.000001398 -0.000001564 0.000001354 -0.000005994 0.000000106 -0.000000003 -0.000000611 -0.000001517 -0.000000613 -0.000000510 0.000000439 0.000002587 0.000008959 0.000006036 0.000021868 0.000001462 0.000001775 0.000005356 -0.000012994 -0.000001767 -0.000035415 -0.000000906 -0.000000079 -0.000002613 -0.000004400 -0.000005361 0.000003431 -0.000009797 -0.000004595 -0.000002292 -0.000003719 -0.000000479 0.000004085 0.000010284 -0.000004657 -0.000008891 -0.000001476 0.000001445 0.000005828 -0.000003862 -0.000000233 0.000001695 0.000000493 -0.000000067 0.000002842 0.000001639 -0.000001725 0.000000768 0.000000707 0.000001223 0.000001855 0.000001840 -0.000000714 -0.000003185 0.000001622 -0.000000438 -0.000000975 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.7303,.6126,.54;-.9408,-.6306,.6125;.3601,1.0638,.5083;2.1949,-2.205,-1.4517;1.5704,-3.1026,-1.4526;2.6912,-1.9228,-.0517;1.4326,-1.0244,-2.0208;3.4062,-.9914,.2563;1.9057,.0676,-2.2041;.1845,-1.3594,-2.3218;2.3175,-2.8554,.7953;2.542,-2.5998,2.1743;2.187,-3.4873,2.708;3.6083,-2.4275,2.3754;1.9582,-1.7165,2.4703;-.6658,-.323,-2.7944;-1.6739,-.7482,-2.8251;-.6465,.5372,-2.1103;-.3525,.0086,-3.7947;1.6105,1.9782,.3148;3.6316,2.8121,-.0808;2.7655,3.8642,.0005;4.7,2.7908,-.2696;2.9315,4.9322,-.0962;2.8969,1.6737,.1216;1.5298,3.3188,.2455;3.2192,.6883,.0593;.6378,3.7964,.3384;.3421,-.3814,.6123;-.9587,1.6638,.479;-3.2285,.7246,.4069;-1.482,-2.037,.679;-2.0237,-2.3012,1.8741;-2.4363,-2.2306,-.2424;-.5312,-2.9426,.4675;-3.8668,-.1618,1.179;-3.6633,1.9357,.7357;-3.6119,.4922,-.8604;3.0792,-2.3594,-2.0887; Gaussian 16 GINC-BERON03 GRUFOR coments ES64L-G16RevC.02 111 C1[X(C12H12BF6N4O4)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.7303,.6126,.54;-.9408,-.6306,.6125;.3601,1.0638,.5083;2.1949,-2.205,-1.4517;1.5704,-3.1026,-1.4526;2.6912,-1.9228,-.0517;1.4326,-1.0244,-2.0208;3.4062,-.9914,.2563;1.9057,.0676,-2.2041;.1845,-1.3594,-2.3218;2.3175,-2.8554,.7953;2.542,-2.5998,2.1743;2.187,-3.4873,2.708;3.6083,-2.4275,2.3754;1.9582,-1.7165,2.4703;-.6658,-.323,-2.7944;-1.6739,-.7482,-2.8251;-.6465,.5372,-2.1103;-.3525,.0086,-3.7947;1.6105,1.9782,.3148;3.6316,2.8121,-.0808;2.7655,3.8642,.0005;4.7,2.7908,-.2696;2.9315,4.9322,-.0962;2.8969,1.6737,.1216;1.5298,3.3188,.2455;3.2192,.6883,.0593;.6378,3.7964,.3384;.3421,-.3814,.6123;-.9587,1.6638,.479;-3.2285,.7246,.4069;-1.482,-2.037,.679;-2.0237,-2.3012,1.8741;-2.4363,-2.2306,-.2424;-.5312,-2.9426,.4675;-3.8668,-.1618,1.179;-3.6633,1.9357,.7357;-3.6119,.4922,-.8604;3.0792,-2.3594,-2.0887; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 11 12 1 12 12 16 16 16 16 12 1 1 1 12 1 1 1 12 12 12 1 1 14 14 1 1 14 14 12 12 19 19 19 19 19 19 1 12.0000000 12.0000000 11.0093053 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 1.0078250 0 0 3 0 1 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 1 1 2 2 1 1 2 2 0 0 1 1 1 1 1 1 1 3.6000000 3.6000000 2.7500000 3.6000000 1.0000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "13_a_2COMe.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 3 4 4 4 4 6 6 7 7 8 10 11 12 12 12 16 16 16 20 20 21 21 21 22 22 25 26 31 31 31 32 32 32 2 30 31 29 32 20 29 30 5 6 7 39 8 11 9 10 27 16 12 13 14 15 17 18 19 25 26 22 23 25 24 26 27 28 36 37 38 33 34 35 1.4745 1.3054 1.5083 1.3069 1.5084 1.5611 1.449 1.4492 1.0935 1.512 1.5162 1.1008 1.2139 1.3141 1.2041 1.3268 1.7015 1.4215 1.4203 1.0948 1.0987 1.0993 1.0945 1.0992 1.0995 1.336 1.3448 1.3652 1.0851 1.3699 1.0851 1.3728 1.0386 1.0161 1.3376 1.3282 1.3443 1.3385 1.3406 1.33 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 2 2 30 1 1 29 20 20 29 5 5 5 6 6 7 4 4 8 4 4 9 6 7 6 11 11 11 13 13 14 10 10 10 17 17 18 3 3 25 22 22 23 21 21 24 20 20 21 20 20 22 8 2 1 1 1 1 36 36 37 2 2 2 33 33 34 1 1 1 2 2 2 3 3 3 4 4 4 4 4 4 6 6 6 7 7 7 8 10 11 12 12 12 12 12 12 16 16 16 16 16 16 20 20 20 21 21 21 22 22 22 25 25 25 26 26 26 27 29 30 31 31 31 31 31 31 32 32 32 32 32 32 30 31 31 29 32 32 29 30 30 6 7 39 7 39 39 8 11 11 9 10 10 27 16 12 13 14 15 14 15 15 17 18 19 18 19 19 25 26 26 23 25 25 24 26 26 21 27 27 22 28 28 25 3 3 36 37 38 37 38 38 33 34 35 34 35 35 111.3886 126.7821 121.5545 111.3983 126.5991 122.0026 127.0908 118.9376 113.7687 109.9607 110.5975 110.0723 111.5497 107.3512 107.2167 124.8518 111.7829 123.2624 124.4535 111.1899 124.3373 131.5594 117.0047 116.9479 106.0326 111.0559 108.7863 110.6468 110.3556 109.8878 106.0838 110.6804 110.6009 109.7398 110.7391 108.9764 130.9698 122.8387 106.1096 130.5475 106.9437 122.508 131.0083 105.9881 123.0036 110.388 121.5794 127.8162 110.5683 121.0993 128.2986 164.5231 101.6775 101.7491 111.9547 111.7761 110.7123 107.7703 107.07 107.3158 111.6279 111.0838 111.8006 107.2806 107.2747 107.5362 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 30 30 31 31 2 31 2 2 2 30 30 30 1 32 1 1 1 29 29 29 29 29 30 30 20 30 20 29 5 5 7 7 39 39 5 5 6 6 39 39 4 11 4 8 4 9 6 7 7 7 6 6 6 3 3 26 26 3 3 25 25 23 23 25 25 22 22 23 23 21 21 24 24 20 21 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 7 7 8 10 10 10 11 11 11 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 25 25 2 2 2 2 30 30 31 31 31 31 31 31 29 29 32 32 32 32 32 32 20 20 20 20 29 29 30 30 6 6 6 6 6 6 7 7 7 7 7 7 8 8 11 11 10 10 27 16 16 16 12 12 12 25 25 25 25 26 26 26 26 22 22 22 22 25 25 25 25 26 26 26 26 27 27 29 32 29 32 3 3 36 37 38 36 37 38 3 3 33 34 35 33 34 35 25 26 25 26 2 2 1 1 8 11 8 11 8 11 9 10 9 10 9 10 27 27 12 12 16 16 25 17 18 19 13 14 15 21 27 21 27 22 28 22 28 24 26 24 26 20 27 20 27 20 28 20 28 8 8 0.6672 -179.28 174.6702 -5.277 0.2304 -174.1343 41.6057 162.6292 -77.7862 -144.9495 -23.9261 95.6585 -1.1744 178.7757 -72.356 47.3362 167.4693 107.702 -132.6058 -12.4727 4.6313 -179.1386 -169.8481 6.382 -173.3321 1.3895 174.185 -1.005 179.9491 3.5447 -56.9686 126.627 60.2116 -116.1928 -175.7092 2.7494 61.5721 -119.9693 -55.6894 122.7691 56.5866 -127.407 -170.452 13.0767 176.4852 -5.0541 66.7246 -170.7669 -51.7836 69.0943 -178.9556 -58.707 62.3565 176.2136 1.1638 -0.49 -175.5398 -176.6944 1.3581 0.3436 178.3961 -0.4827 179.4477 179.8428 -0.2268 0.4543 175.115 -179.2523 -4.5917 -0.0699 -177.9449 179.8674 1.9924 -33.0023 152.8744 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00055 0.00228 0.00323 0.00342 0.00348 0.00460 0.00548 0.00745 0.00947 0.01146 0.01220 0.01295 0.01469 0.01616 0.02095 0.02197 0.02483 0.02664 0.02708 0.03263 0.03807 0.03987 0.04207 0.04579 0.04658 0.05298 0.05494 0.05608 0.07743 0.08127 0.08228 0.08248 0.08392 0.08551 0.08844 0.10152 0.10608 0.10793 0.11979 0.12646 0.13057 0.13310 0.13419 0.13451 0.13748 0.14820 0.14980 0.16014 0.18913 0.18954 0.19223 0.19262 0.19699 0.20218 0.21493 0.21857 0.22515 0.23585 0.23851 0.24056 0.24523 0.24948 0.25250 0.25402 0.25761 0.26270 0.27057 0.27479 0.27981 0.30096 0.31007 0.33343 0.34499 0.34536 0.34644 0.34872 0.34894 0.35182 0.35868 0.35900 0.36145 0.36865 0.37403 0.37495 0.37955 0.38209 0.38459 0.38636 0.39221 0.39388 0.39596 0.40023 0.41174 0.41823 0.42226 0.43517 0.45929 0.47346 0.48640 0.50386 0.51384 0.51453 0.56191 0.56347 0.58755 0.60447 0.64872 0.91679 0.93639 1.51279 2.39524 Angle between quadratic step and forces= 83.79 degrees. 1 2 3 0.00085603 0.00001525 0.00000000 0.00000403 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 2.78648 2.46684 2.85019 2.46961 2.85045 2.95004 2.73829 2.73854 2.06642 2.85720 2.86514 2.08013 2.29394 2.48329 2.27546 2.50730 3.21538 2.68619 2.68399 2.06883 2.07628 2.07746 2.06829 2.07718 2.07772 2.52469 2.54131 2.57977 2.05063 2.58880 2.05047 2.59419 1.96272 1.92022 2.52773 2.50984 2.54027 2.52946 2.53340 2.51329 1.94410 2.21277 2.12153 1.94427 2.20957 2.12935 2.21815 2.07585 1.98564 1.91918 1.93029 1.92112 1.94691 1.87363 1.87128 2.17907 1.95098 2.15134 2.17212 1.94063 2.17010 2.29615 2.04212 2.04113 1.85062 1.93829 1.89868 1.93115 1.92607 1.91790 1.85151 1.93174 1.93035 1.91532 1.93276 1.90200 2.28585 2.14394 1.85196 2.27848 1.86652 2.13817 2.28653 1.84984 2.14682 1.92663 2.12196 2.23081 1.92978 2.11358 2.23923 2.87147 1.77461 1.77586 1.95398 1.95086 1.93229 1.88095 1.86872 1.87301 1.94828 1.93878 1.95129 1.87240 1.87230 1.87686 0.01165 -3.12903 3.04857 -0.09210 0.00402 -3.03922 0.72616 2.83841 -1.35763 -2.52985 -0.41759 1.66956 -0.02050 3.12022 -1.26285 0.82617 2.92289 1.87975 -2.31441 -0.21769 0.08083 -3.12656 -2.96441 0.11139 -3.02522 0.02425 3.04010 -0.01754 3.14070 0.06187 -0.99429 2.21006 1.05089 -2.02795 -3.06670 0.04799 1.07464 -2.09386 -0.97196 2.14273 0.98762 -2.22367 -2.97495 0.22823 3.08025 -0.08821 1.16456 -2.98044 -0.90379 1.20592 -3.12337 -1.02463 1.08833 3.07551 0.02031 -0.00855 -3.06375 -3.08390 0.02370 0.00600 3.11360 -0.00843 3.13195 3.13885 -0.00396 0.00793 3.05633 -3.12854 -0.08014 -0.00122 -3.10573 3.13928 0.03477 -0.57600 2.66816 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00003 0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00004 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00002 -0.00000 0.00000 0.00000 -0.00004 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 0.00005 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00049 0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00001 -0.00003 0.00004 -0.00001 0.00003 -0.00003 -0.00002 0.00005 -0.00001 0.00003 -0.00002 -0.00001 -0.00000 -0.00001 0.00002 -0.00005 0.00002 0.00003 -0.00004 0.00002 0.00002 -0.00064 0.00008 0.00002 -0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00003 0.00001 0.00001 -0.00004 0.00005 -0.00006 0.00003 -0.00002 0.00003 -0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00000 0.00001 -0.00005 0.00003 -0.00000 0.00002 -0.00002 -0.00118 0.00001 -0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00007 0.00005 0.00002 -0.00001 -0.00000 0.00001 -0.00005 -0.00034 0.00014 -0.00016 0.00001 -0.00016 0.00008 0.00007 0.00008 0.00027 0.00026 0.00028 0.00006 0.00034 -0.00006 -0.00008 -0.00002 -0.00038 -0.00041 -0.00035 0.00096 0.00111 0.00055 0.00070 -0.00045 -0.00006 0.00039 0.00003 -0.00002 0.00005 -0.00003 0.00004 -0.00002 0.00005 0.00014 0.00023 0.00012 0.00021 0.00012 0.00021 -0.00122 -0.00130 0.00025 0.00032 -0.00043 -0.00034 0.00785 0.00211 0.00218 0.00220 -0.00067 -0.00068 -0.00064 0.00014 0.00025 0.00000 0.00011 -0.00013 -0.00023 -0.00001 -0.00011 -0.00009 -0.00002 -0.00007 -0.00001 0.00001 -0.00012 0.00002 -0.00011 0.00001 0.00012 0.00007 0.00018 -0.00690 -0.00677 0.00002 -0.00002 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00049 0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00001 -0.00003 0.00004 -0.00001 0.00003 -0.00003 -0.00002 0.00005 -0.00001 0.00003 -0.00002 -0.00001 -0.00000 -0.00001 0.00002 -0.00005 0.00002 0.00003 -0.00004 0.00002 0.00002 -0.00064 0.00008 0.00002 -0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00003 0.00001 0.00001 -0.00004 0.00005 -0.00006 0.00003 -0.00002 0.00003 -0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00000 0.00001 -0.00005 0.00003 -0.00000 0.00002 -0.00002 -0.00118 0.00001 -0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00007 0.00005 0.00002 -0.00001 -0.00000 0.00001 -0.00005 -0.00034 0.00014 -0.00016 0.00001 -0.00016 0.00008 0.00007 0.00008 0.00027 0.00026 0.00028 0.00006 0.00034 -0.00006 -0.00008 -0.00002 -0.00038 -0.00041 -0.00035 0.00096 0.00111 0.00055 0.00070 -0.00045 -0.00006 0.00039 0.00003 -0.00002 0.00005 -0.00003 0.00004 -0.00002 0.00005 0.00014 0.00023 0.00012 0.00021 0.00012 0.00021 -0.00122 -0.00130 0.00025 0.00032 -0.00043 -0.00034 0.00785 0.00211 0.00218 0.00220 -0.00067 -0.00068 -0.00064 0.00014 0.00025 0.00000 0.00011 -0.00013 -0.00023 -0.00001 -0.00011 -0.00009 -0.00002 -0.00007 -0.00001 0.00001 -0.00012 0.00002 -0.00011 0.00001 0.00012 0.00007 0.00018 -0.00690 -0.00677 2.78650 2.46681 2.85019 2.46960 2.85044 2.95004 2.73830 2.73855 2.06642 2.85721 2.86513 2.08013 2.29395 2.48327 2.27547 2.50728 3.21587 2.68621 2.68398 2.06884 2.07628 2.07746 2.06829 2.07718 2.07773 2.52468 2.54132 2.57978 2.05063 2.58878 2.05047 2.59418 1.96272 1.92022 2.52773 2.50984 2.54028 2.52949 2.53339 2.51328 1.94410 2.21274 2.12156 1.94426 2.20961 2.12932 2.21814 2.07591 1.98563 1.91921 1.93027 1.92111 1.94691 1.87362 1.87130 2.17902 1.95100 2.15137 2.17208 1.94065 2.17012 2.29551 2.04219 2.04114 1.85061 1.93830 1.89868 1.93114 1.92605 1.91793 1.85152 1.93175 1.93031 1.91537 1.93270 1.90203 2.28583 2.14397 1.85196 2.27851 1.86651 2.13815 2.28653 1.84984 2.14681 1.92664 2.12191 2.23085 1.92978 2.11360 2.23921 2.87029 1.77461 1.77586 1.95396 1.95086 1.93229 1.88095 1.86873 1.87302 1.94821 1.93883 1.95130 1.87239 1.87229 1.87687 0.01160 -3.12937 3.04871 -0.09226 0.00403 -3.03938 0.72623 2.83848 -1.35755 -2.52957 -0.41732 1.66984 -0.02044 3.12056 -1.26291 0.82609 2.92287 1.87937 -2.31481 -0.21804 0.08179 -3.12544 -2.96386 0.11209 -3.02567 0.02419 3.04049 -0.01751 3.14068 0.06191 -0.99432 2.21010 1.05087 -2.02789 -3.06656 0.04821 1.07476 -2.09365 -0.97184 2.14293 0.98640 -2.22497 -2.97470 0.22855 3.07982 -0.08855 1.17241 -2.97834 -0.90162 1.20812 -3.12403 -1.02531 1.08768 3.07565 0.02056 -0.00855 -3.06364 -3.08403 0.02347 0.00599 3.11349 -0.00851 3.13193 3.13878 -0.00397 0.00793 3.05622 -3.12853 -0.08025 -0.00121 -3.10561 3.13935 0.03495 -0.58290 2.66139 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000048 0.000009 0.003768 0.000854 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -8.326013e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 465 A 438 A 438 759 465 102 101 2882.1499269787 39 39 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0356878642 0.000000 1.474543 0.000000 2.138825 2.138735 0.000000 5.226222 4.070884 4.229983 0.000000 5.354296 4.084284 4.761154 1.093503 0.000000 5.131194 3.911880 3.829805 1.511963 2.147231 0.000000 4.386569 3.566845 3.450675 1.516165 2.158941 2.503759 0.000000 5.388611 4.376451 3.683133 2.420178 3.278336 1.213903 3.013500 0.000000 4.587846 4.064900 3.276959 2.411294 3.275317 3.035063 1.204121 3.070188 0.000000 3.968102 3.226073 3.729898 2.348069 2.390610 3.428447 1.326804 4.142534 2.238895 0.000000 5.336475 3.949699 4.390176 2.342543 2.381709 1.314100 3.473716 2.224918 4.208362 4.062570 0.000000 5.589580 4.294997 4.577933 3.663968 3.788302 2.331478 4.616489 2.648150 5.166268 5.226024 1.420308 0.000000 6.070831 4.726001 5.374746 4.352946 4.223612 3.212174 5.384909 3.705017 6.070045 5.816968 2.018591 1.094780 0.000000 6.411902 5.199186 5.121092 4.085881 4.388900 2.643237 5.101913 2.567901 5.486005 5.909906 2.084655 1.098721 1.803885 0.000000 4.770316 3.610364 3.759368 3.959378 4.178544 2.634455 4.574410 2.743066 5.003553 5.122227 2.057060 1.099343 1.801219 1.799313 0.000000 3.623109 3.431745 3.726081 3.678071 3.811495 4.620783 2.343870 5.131699 2.667216 1.421471 5.310359 6.337347 6.959021 7.030236 6.045150 0.000000 3.630353 3.516843 4.304935 4.356072 4.236997 5.303350 3.220749 5.946486 3.723563 2.020033 5.786133 6.796768 7.281779 7.600460 6.493864 1.094492 0.000000 2.864429 2.977278 2.854486 4.003338 4.312266 4.629279 2.601761 4.935733 2.596765 2.081443 5.360832 6.193996 6.887816 6.856755 5.731112 1.099196 1.794105 0.000000 4.588432 4.492021 4.487514 4.108352 4.343135 5.196620 2.720345 5.615869 2.762834 2.080688 6.033285 7.128208 7.807447 7.726149 6.896773 1.099483 1.805280 1.789716 0.000000 3.616148 3.661083 1.561094 4.578298 5.379556 4.064499 3.808152 3.470755 3.175233 4.485993 4.908593 5.028236 5.994252 5.258084 4.291598 4.488203 5.298998 3.612702 4.961937 0.000000 5.828680 5.765414 3.755844 5.395820 6.412058 4.827505 4.828875 3.825049 3.875466 5.857100 5.883454 5.963327 7.038943 5.786790 5.460488 5.971642 6.953817 5.253228 6.125867 2.221902 0.000000 5.574669 5.857930 3.726482 6.266567 7.216426 5.787784 5.455347 4.904381 4.473644 6.272197 6.781310 6.823434 7.855608 6.777667 6.156052 6.092479 6.997653 5.212147 6.244324 2.233879 1.365156 0.000000 6.837329 6.656047 4.735222 5.712354 6.776905 5.128458 5.319612 4.031826 4.354968 6.467200 6.220130 6.299871 7.388924 5.951371 5.944823 6.697931 7.725383 6.087020 6.759789 3.247603 1.085149 2.228732 0.000000 6.387189 6.814828 4.684256 7.301966 8.261359 6.859347 6.436699 5.952978 5.399899 7.216812 7.862447 7.876381 8.905354 7.793061 7.193033 6.916474 7.805349 6.014516 6.978910 3.261931 2.232700 1.085063 2.782586 0.000000 4.765749 4.503218 2.637586 4.244081 5.201036 3.606568 3.743480 2.716642 2.995086 4.746203 4.615449 4.754193 5.816310 4.733471 4.229814 5.018234 5.953213 4.339207 5.354310 1.336006 1.369931 2.197820 2.156870 3.265921 0.000000 4.247188 4.672943 2.553895 5.816746 6.642233 5.376940 4.899847 4.700861 4.087989 5.503254 6.248451 6.306659 7.267606 6.471182 5.521533 5.227260 6.019385 4.245402 5.551934 1.344804 2.186451 1.372786 3.254823 2.164394 2.142539 0.000000 4.973410 4.399015 2.918372 3.421045 4.401758 2.666291 3.232980 1.701503 2.689484 4.367119 3.729962 3.967801 5.051418 3.901802 3.631293 4.925418 5.858811 4.435513 5.298358 2.077736 2.168004 3.208712 2.592581 4.256436 1.038627 3.131760 0.000000 3.973032 4.708035 2.751976 6.453330 7.188442 6.089212 5.425616 5.531152 4.687800 5.819266 6.875829 6.921562 7.814568 7.191024 6.056489 5.336928 6.000420 4.274079 5.693031 2.062208 3.179230 2.155489 4.228751 2.596180 3.107499 1.016139 4.049926 0.000000 2.299632 1.306861 1.449042 3.319415 3.630070 2.887116 2.921665 3.144442 3.252527 3.096827 3.171202 3.492924 4.176353 4.238312 2.801100 3.553164 4.001823 3.038776 4.478486 2.695400 4.636834 4.926806 5.461917 5.953302 3.315364 3.903444 3.118992 4.197250 0.000000 1.305394 2.298323 1.449173 5.351596 5.731093 5.144618 4.381009 5.113822 4.236901 4.276767 5.590755 5.771186 6.434048 6.418126 4.888714 3.840293 4.152875 2.840985 4.622966 2.593525 4.764728 4.352102 5.818161 5.113415 3.872118 2.997701 4.310713 2.667692 2.427457 0.000000 1.508255 2.666916 3.606083 6.438180 6.413641 6.500986 5.538848 6.854667 5.797383 4.841276 6.612582 6.890146 7.236210 7.781602 6.092478 4.232386 3.877139 3.610905 5.141811 4.999609 7.187287 6.778755 8.221217 7.476854 6.205099 5.421986 6.457201 4.938536 3.743618 2.457548 0.000000 2.664903 1.508393 3.610713 4.252920 3.872457 4.238236 4.099892 5.016567 4.921198 3.498751 3.888406 4.329559 4.436393 5.379736 3.891777 3.958308 3.738507 3.886523 5.047223 5.081111 7.088016 7.302507 7.900918 8.285501 5.766690 6.159816 5.469229 6.215964 2.464246 3.742943 3.278862 0.000000 3.218109 2.356959 4.344063 5.372820 4.962552 5.107144 5.361631 5.815220 6.138711 4.834194 4.507508 4.585312 4.453345 5.655731 4.068486 5.249009 4.961545 5.082256 6.345410 5.826820 7.870840 8.028703 8.702436 8.986556 6.563818 6.845727 6.302295 6.828082 3.297650 4.336071 3.572046 1.338532 0.000000 3.032288 2.351041 4.385967 4.786560 4.275359 5.140339 4.425648 5.993260 5.289958 3.457167 4.905790 5.546232 5.626676 6.590127 5.189845 3.645024 3.073938 3.788611 4.687802 5.865245 7.891456 8.016588 8.725972 8.952135 6.619636 6.838433 6.371517 6.790610 3.445221 4.227301 3.127680 1.340617 2.157548 0.000000 3.752741 2.352475 4.104510 3.414506 2.851107 3.419570 3.705098 4.399378 4.705038 3.286200 2.868858 3.532021 3.564423 4.587045 3.422150 4.185731 4.118523 4.332173 5.187306 5.368805 7.123629 7.577572 7.796189 8.620913 5.760352 6.595590 5.235979 6.840862 2.709815 4.626176 4.552767 1.329975 2.148902 2.154192 0.000000 2.360638 3.016991 4.451845 6.916603 6.718392 6.901016 6.250336 7.378077 6.694802 5.486664 6.756415 6.928733 7.074268 7.902070 6.165631 5.104902 4.602812 4.656067 6.092432 5.943678 8.164415 7.847691 9.176422 8.590257 7.087686 6.489206 7.224141 6.055211 4.252543 3.504298 1.337618 3.074726 2.908112 2.889059 4.400640 0.000000 2.350555 3.743409 4.123092 7.499881 7.587146 7.475857 6.506039 7.666483 6.568569 5.917083 7.663479 7.819590 8.217344 8.637294 6.924482 5.152466 4.882709 4.376848 5.932969 5.290710 7.392566 6.751995 8.466761 7.291252 6.594080 5.396442 7.027245 4.703094 4.628967 2.730350 1.328151 4.532557 4.683543 4.452024 5.803465 2.153515 0.000000 2.348616 3.250358 4.239948 6.429875 6.334813 6.798245 5.393856 7.259571 5.694754 4.469600 7.007616 7.525994 7.886532 8.433691 6.855482 3.617213 3.025712 3.218399 4.412276 5.555400 7.645787 7.265206 8.644074 7.944398 6.687656 5.970745 6.895530 5.514916 4.308845 3.194695 1.344255 3.647386 4.219374 3.029485 4.801287 2.156820 2.152625 0.000000 6.235009 5.142552 5.084896 1.100756 1.798230 2.119051 2.120939 2.734432 2.698319 3.071418 3.023878 4.303445 5.007677 4.495855 4.738577 4.320950 5.072495 4.719321 4.504972 5.171899 5.575073 6.572422 5.697432 7.560333 4.602654 6.331723 3.731219 7.053033 4.324344 6.251682 7.451643 5.344956 6.461234 5.817803 4.461977 7.984671 8.478616 7.376451 0.000000 C12H12BF6N4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:1.7345,1.0673,-.4308;1.1414,-.2809,-.5013;-.3924,1.2058,-.6083;-1.9188,-2.2095,1.3663;-1.1753,-3.0042,1.473;-2.3151,-2.065,-.0857;-1.3908,-.9056,1.9319;-3.1233,-1.2636,-.5077;-2.0305,.1115,2.0104;-.142,-1.0393,2.3597;-1.7331,-2.9682,-.8422;-1.8596,-2.8088,-2.2479;-1.3322,-3.6566,-2.697;-2.9157,-2.8048,-2.5512;-1.3826,-1.8628,-2.5413;.5026,.1309,2.8453;1.5536,-.1392,2.9885;.4256,.9482,2.1143;.0514,.4558,3.7938;-1.7734,1.9331,-.5775;-3.9213,2.476,-.4089;-3.2109,3.6399,-.4736;-4.9888,2.3054,-.3136;-3.5363,4.6748,-.4528;-3.0155,1.4508,-.4809;-1.8922,3.2727,-.5779;-3.1981,.4323,-.3911;-1.0729,3.8723,-.6192;-.1581,-.2241,-.6278;.8182,1.9946,-.4976;3.1818,1.4048,-.1734;1.8819,-1.5936,-.4399;2.567,-1.8266,-1.5659;2.7622,-1.6038,.5712;1.0546,-2.6195,-.2613;4.0107,.5896,-.8348;3.4681,2.6514,-.5312;3.4722,1.2871,1.1339;-2.8285,-2.4649,1.931; 0.2431684 0.1739192 0.1324141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 462 462 462 462 462 MxSgAt= 39 MxSgA2= 39. 1 open 1 1 1 -1606.72033011063 -1606.72033011 1 0.7564 1.594458832363e+03 -9.544175840444e+03 3.460882438855e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572420272 LenY= 1572203582 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7564 Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11812 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 117 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 6.83D-14 1.00D-09 XBig12= 1.90D+02 5.76D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 6.83D-14 1.00D-09 XBig12= 3.06D+01 1.08D+00. 117 vectors produced by pass 2 Test12= 6.83D-14 1.00D-09 XBig12= 9.64D-01 2.97D-01. 117 vectors produced by pass 3 Test12= 6.83D-14 1.00D-09 XBig12= 2.61D-02 4.24D-02. 117 vectors produced by pass 4 Test12= 6.83D-14 1.00D-09 XBig12= 5.53D-04 4.60D-03. 117 vectors produced by pass 5 Test12= 6.83D-14 1.00D-09 XBig12= 6.75D-06 2.46D-04. 117 vectors produced by pass 6 Test12= 6.83D-14 1.00D-09 XBig12= 6.75D-08 2.73D-05. 89 vectors produced by pass 7 Test12= 6.83D-14 1.00D-09 XBig12= 6.60D-10 2.02D-06. 23 vectors produced by pass 8 Test12= 6.83D-14 1.00D-09 XBig12= 5.66D-12 1.91D-07. 3 vectors produced by pass 9 Test12= 6.83D-14 1.00D-09 XBig12= 4.58D-14 2.05D-08. 1 vectors produced by pass 10 Test12= 6.83D-14 1.00D-09 XBig12= 5.56D-16 1.75D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 935 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 173.33 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 208.742 -22.201 183.222 5.057 3.881 128.016 221.266 -20.975 205.320 3.232 2.027 144.382 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C B C H C C O O O O C H H H C H H H C C C H H N N H H N N C C F F F F F F H 13 13 11 13 1 13 13 17 17 17 17 13 1 1 1 13 1 1 1 13 13 13 1 1 14 14 1 1 14 14 13 13 19 19 19 19 19 19 1 0.03184 0.03476 0.04078 0.00059 0.00000 -0.00012 -0.00050 -0.00078 0.00525 -0.00068 -0.00012 0.00020 0.00001 -0.00000 0.00001 0.00024 0.00020 0.00002 0.00004 -0.03058 -0.00061 0.00026 -0.00024 -0.00030 0.01545 0.01651 -0.00076 -0.00083 -0.00985 -0.00876 -0.01660 -0.01710 0.01748 0.01183 -0.00050 0.00803 0.00045 0.01712 -0.00003 35.79352 39.07573 58.49371 0.66073 0.00119 -0.13607 -0.56067 0.47340 -3.18017 0.40972 0.07061 0.22461 0.02795 -0.01338 0.02376 0.27186 0.87316 0.10472 0.16482 -34.38136 -0.68095 0.29674 -1.08527 -1.32715 4.99042 5.33458 -3.41161 -3.69958 -3.18327 -2.83034 -18.66512 -19.22196 73.56296 49.77527 -2.08780 33.79871 1.90739 72.04144 -0.15133 12.77202 13.94319 20.87201 0.23576 0.00042 -0.04855 -0.20006 0.16892 -1.13476 0.14620 0.02519 0.08015 0.00997 -0.00477 0.00848 0.09701 0.31156 0.03737 0.05881 -12.26812 -0.24298 0.10588 -0.38725 -0.47356 1.78070 1.90351 -1.21735 -1.32010 -1.13587 -1.00994 -6.66018 -6.85887 26.24909 17.76105 -0.74498 12.06022 0.68060 25.70618 -0.05400 11.93943 13.03426 19.51140 0.22040 0.00040 -0.04539 -0.18702 0.15791 -1.06079 0.13667 0.02355 0.07492 0.00932 -0.00446 0.00793 0.09068 0.29125 0.03493 0.05498 -11.46839 -0.22714 0.09898 -0.36201 -0.44269 1.66462 1.77942 -1.13799 -1.23405 -1.06182 -0.94410 -6.22601 -6.41176 24.53796 16.60324 -0.69641 11.27404 0.63624 24.03044 -0.05048 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.133985 -0.153161 -0.101999 -0.000272 -0.000564 0.000578 -0.000115 0.001492 0.002743 0.000009 -0.000357 -0.000319 -0.000460 0.000144 -0.000594 -0.002122 -0.001787 -0.003392 -0.001264 0.024888 -0.005989 -0.009043 0.002853 -0.000988 -0.049898 -0.056456 0.000088 0.001426 -0.052400 -0.065544 0.001657 -0.005716 0.003584 0.022992 -0.005128 0.031531 -0.005738 0.044495 0.000090 -0.148360 -0.149216 -0.102271 0.001294 0.001243 0.001291 0.000542 -0.000003 -0.008647 -0.000032 0.001744 0.001319 0.000954 0.000408 0.001300 -0.002708 -0.002343 -0.005087 -0.001578 0.017770 -0.008284 -0.009891 -0.001637 0.002248 -0.057579 -0.057121 0.003458 0.002814 -0.066307 -0.055573 -0.003018 0.004165 0.029361 0.003742 0.001860 -0.019077 0.004815 -0.032878 0.000300 0.282345 0.302378 0.204269 -0.001021 -0.000679 -0.001869 -0.000427 -0.001489 0.005904 0.000023 -0.001388 -0.001000 -0.000494 -0.000552 -0.000707 0.004830 0.004130 0.008479 0.002842 -0.042658 0.014272 0.018934 -0.001216 -0.001260 0.107477 0.113577 -0.003546 -0.004240 0.118707 0.121117 0.001360 0.001551 -0.032945 -0.026733 0.003268 -0.012455 0.000923 -0.011617 -0.000390 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.005088 -0.002347 0.000493 0.001729 0.001081 0.002453 0.000956 0.002041 0.012323 0.000480 0.001648 0.001537 0.000730 0.001007 0.001976 -0.001007 -0.000372 -0.001320 -0.000116 -0.002468 -0.000886 -0.001580 0.000248 -0.001906 -0.000460 -0.003611 0.002565 0.002186 0.006361 -0.004674 0.004749 -0.001995 -0.053182 -0.040631 0.003114 -0.012837 0.006471 0.020199 0.000978 -0.064934 -0.047701 -0.008093 -0.001000 -0.000624 -0.000405 -0.001874 0.000154 -0.020272 -0.001601 0.000164 0.000627 0.000374 0.000566 0.001497 -0.000107 0.000981 -0.000145 -0.000483 -0.004679 0.001947 0.000548 -0.000338 -0.000032 0.018618 0.008934 0.000010 -0.000026 -0.020529 -0.032347 -0.000395 -0.000609 -0.015045 0.002446 0.000848 0.019891 0.004372 0.047877 -0.000736 -0.006912 0.003740 -0.013610 -0.001282 -0.001300 -0.000392 -0.002290 -0.000085 -0.013694 -0.001993 0.000226 0.000965 0.000885 0.000657 0.002276 -0.002062 -0.001353 0.000396 -0.000308 -0.000194 0.000525 0.000017 -0.000051 0.000064 0.006092 0.003382 -0.000482 -0.000178 0.011866 -0.003297 0.000224 -0.000801 0.020241 -0.002428 0.006355 -0.004990 0.008395 0.011895 -0.000800 -0.4962 0.8661 -0.0606 0.855 0.4996 0.1391 -0.1507 -0.0172 0.9884 -0.1508 -0.1416 0.2924 -20.235 -18.998 39.233 -7.22 -6.779 13.999 -6.75 -6.337 13.087 1 C 13 0.9735 0.2059 0.0991 -0.204 0.9785 -0.0297 -0.1031 0.0087 0.9946 -0.1585 -0.1488 0.3074 -21.271 -19.973 41.244 -7.59 -7.127 14.717 -7.095 -6.662 13.757 2 C 13 -0.1912 0.9808 0.0384 0.9812 0.19 0.0343 -0.0264 -0.0443 0.9987 -0.1029 -0.1022 0.2051 -17.618 -17.496 35.114 -6.287 -6.243 12.529 -5.877 -5.836 11.713 3 B 11 0.5005 0.0795 0.8621 0.6968 -0.6279 -0.3467 0.5137 0.7742 -0.3697 -0.0017 -0.0013 0.0031 -0.231 -0.179 0.41 -0.082 -0.064 0.146 -0.077 -0.06 0.137 4 C 13 0.2219 0.3616 0.9056 0.8956 -0.4428 -0.0426 0.3856 0.8205 -0.4221 -0.0014 -0.0011 0.0024 -0.721 -0.57 1.291 -0.257 -0.203 0.461 -0.24 -0.19 0.431 5 H 1 0.1637 -0.0048 0.9865 0.7408 -0.6598 -0.1261 0.6515 0.7514 -0.1045 -0.0019 -0.0015 0.0035 -0.26 -0.206 0.466 -0.093 -0.074 0.166 -0.087 -0.069 0.155 6 C 13 0.4161 0.4416 0.7949 0.7692 -0.6371 -0.0488 0.4849 0.6318 -0.6048 -0.0027 -8.0E-4 0.0035 -0.36 -0.106 0.465 -0.128 -0.038 0.166 -0.12 -0.035 0.155 7 C 13 -0.3749 0.5134 0.7719 -0.4325 0.6396 -0.6355 0.82 0.5721 0.0177 -0.0016 -0.0013 0.0029 0.117 0.094 -0.211 0.042 0.034 -0.075 0.039 0.031 -0.07 8 O 17 -0.079 0.884 0.4609 0.7813 -0.2322 0.5793 -0.6191 -0.4058 0.6723 -0.0169 -0.0159 0.0328 1.222 1.154 -2.376 0.436 0.412 -0.848 0.408 0.385 -0.793 9 O 17 0.3888 0.5558 0.7348 0.7848 -0.6176 0.0518 -0.4826 -0.5565 0.6763 -0.0023 -5.0E-4 0.0028 0.169 0.034 -0.203 0.06 0.012 -0.072 0.056 0.011 -0.068 10 O 17 -0.226 0.0482 0.9729 0.8475 -0.4827 0.2208 0.4803 0.8745 0.0682 -0.0014 -0.0013 0.0027 0.102 0.091 -0.193 0.037 0.032 -0.069 0.034 0.03 -0.064 11 O 17 -0.3849 -0.1086 0.9166 0.7802 -0.5689 0.2602 0.4932 0.8152 0.3037 -0.0014 -0.0012 0.0026 -0.185 -0.165 0.35 -0.066 -0.059 0.125 -0.062 -0.055 0.117 12 C 13 -0.1518 -0.3735 0.9151 0.9218 -0.3877 -0.0053 0.3568 0.8427 0.4031 -9.0E-4 -8.0E-4 0.0017 -0.489 -0.411 0.9 -0.175 -0.146 0.321 -0.163 -0.137 0.3 13 H 1 -0.2056 -0.3094 0.9285 0.7636 -0.6441 -0.0455 0.6121 0.6996 0.3686 -9.0E-4 -7.0E-4 0.0016 -0.478 -0.395 0.873 -0.171 -0.141 0.311 -0.159 -0.132 0.291 14 H 1 -0.3557 -0.3553 0.8644 0.8095 -0.5795 0.0949 0.4672 0.7335 0.4937 -0.0023 -0.0018 0.0041 -1.205 -0.978 2.183 -0.43 -0.349 0.779 -0.402 -0.326 0.728 15 H 1 0.5077 0.8367 0.2055 0.8613 -0.4874 -0.1435 0.0198 -0.2499 0.9681 -0.0038 -0.0015 0.0054 -0.513 -0.206 0.719 -0.183 -0.073 0.257 -0.171 -0.069 0.24 16 C 13 0.233 0.9596 0.1576 0.9591 -0.1999 -0.2005 0.1609 -0.1979 0.9669 -0.0027 -0.0019 0.0046 -1.417 -1.021 2.438 -0.506 -0.364 0.87 -0.473 -0.341 0.813 17 H 1 0.4775 0.8784 -0.0195 0.8785 -0.4769 0.0284 -0.0156 0.0307 0.9994 -0.0058 -0.0027 0.0085 -3.102 -1.43 4.532 -1.107 -0.51 1.617 -1.035 -0.477 1.512 18 H 1 0.3929 0.9136 0.1045 0.9127 -0.4013 0.0774 -0.1126 -0.065 0.9915 -0.0017 -0.0013 0.0029 -0.887 -0.669 1.556 -0.317 -0.239 0.555 -0.296 -0.223 0.519 19 H 1 0.069 0.006 0.9976 0.2859 0.9579 -0.0255 0.9558 -0.287 -0.0644 -0.043 0.017 0.0259 -5.768 2.286 3.481 -2.058 0.816 1.242 -1.924 0.763 1.161 20 C 13 0.3496 0.9355 -0.0511 0.9322 -0.3527 -0.0811 0.0939 0.0193 0.9954 -0.0086 -0.0058 0.0145 -1.16 -0.781 1.941 -0.414 -0.279 0.693 -0.387 -0.261 0.648 21 C 13 0.6098 0.7925 -0.0116 0.7923 -0.6099 -0.0158 0.0196 -5.0E-4 0.9998 -0.0111 -0.0078 0.0189 -1.49 -1.052 2.542 -0.532 -0.375 0.907 -0.497 -0.351 0.848 22 C 13 -0.0491 0.9958 0.0773 0.0865 -0.0729 0.9936 0.995 0.0554 -0.0825 -0.0017 -0.0012 0.0029 -0.882 -0.663 1.544 -0.315 -0.236 0.551 -0.294 -0.221 0.515 23 H 1 0.9075 0.42 0.0032 0.004 -0.0161 0.9999 -0.42 0.9074 0.0163 -0.0019 -0.0013 0.0031 -0.998 -0.673 1.671 -0.356 -0.24 0.596 -0.333 -0.225 0.557 24 H 1 0.1863 0.9808 -0.0571 0.9757 -0.1915 -0.1067 0.1156 0.0358 0.9927 -0.058 -0.0518 0.1099 -2.238 -1.999 4.237 -0.798 -0.713 1.512 -0.746 -0.667 1.413 25 N 14 0.6934 0.7189 -0.0495 0.7187 -0.6949 -0.0244 0.0519 0.0186 0.9985 -0.0608 -0.0533 0.1141 -2.346 -2.054 4.401 -0.837 -0.733 1.57 -0.783 -0.685 1.468 26 N 14 -0.0671 0.0923 0.9935 0.8787 -0.4661 0.1027 0.4725 0.8799 -0.0498 -0.0036 -0.0013 0.0049 -1.916 -0.678 2.595 -0.684 -0.242 0.926 -0.639 -0.226 0.865 27 H 1 -0.006 0.0271 0.9996 0.8073 -0.5898 0.0208 0.5902 0.8071 -0.0184 -0.0042 -2.0E-4 0.0044 -2.265 -0.092 2.356 -0.808 -0.033 0.841 -0.755 -0.031 0.786 28 H 1 -0.4275 0.8982 -0.1026 0.8967 0.4357 0.078 -0.1147 0.0587 0.9917 -0.0707 -0.0511 0.1218 -2.726 -1.971 4.697 -0.973 -0.703 1.676 -0.909 -0.657 1.567 29 N 14 0.9428 0.291 0.1624 -0.2891 0.9566 -0.0354 -0.1657 -0.0136 0.9861 -0.0726 -0.054 0.1266 -2.798 -2.084 4.883 -0.999 -0.744 1.742 -0.933 -0.695 1.629 30 N 14 -0.5285 0.8472 -0.0542 0.0279 0.0811 0.9963 0.8485 0.5251 -0.0665 -0.006 0.0014 0.0046 -0.804 0.184 0.621 -0.287 0.065 0.222 -0.268 0.061 0.207 31 C 13 0.9758 0.1958 0.0971 -0.1349 0.1898 0.9725 -0.172 0.9621 -0.2116 -0.0062 0.0015 0.0047 -0.829 0.199 0.63 -0.296 0.071 0.225 -0.276 0.066 0.21 32 C 13 -0.3407 -0.4994 0.7966 0.7226 0.403 0.5617 -0.6016 0.7669 0.2236 -0.0392 -0.0378 0.077 -19.688 -18.972 38.66 -7.025 -6.77 13.795 -6.567 -6.328 12.896 33 F 19 0.5955 0.7685 0.2339 -0.177 -0.1584 0.9714 0.7836 -0.6199 0.0417 -0.0285 -0.0268 0.0553 -14.305 -13.451 27.756 -5.104 -4.8 9.904 -4.771 -4.487 9.258 34 F 19 0.8423 -0.4839 0.2373 -0.5061 -0.5588 0.657 0.1853 0.6735 0.7156 -0.0067 -0.0028 0.0095 -3.354 -1.402 4.756 -1.197 -0.5 1.697 -1.119 -0.468 1.586 35 F 19 0.197 0.9755 0.0977 -0.3636 -0.0199 0.9313 0.9105 -0.219 0.3508 -0.0222 -0.0201 0.0423 -11.134 -10.102 21.236 -3.973 -3.605 7.578 -3.714 -3.37 7.084 36 F 19 0.9187 -0.3871 -0.0785 -0.1636 -0.5539 0.8164 0.3595 0.7371 0.5721 -0.0088 -0.0056 0.0145 -4.439 -2.837 7.276 -1.584 -1.012 2.596 -1.481 -0.946 2.427 37 F 19 -0.447 -0.2106 0.8694 -0.284 0.955 0.0854 0.8483 0.2087 0.4867 -0.0391 -0.0378 0.0769 -19.643 -18.995 38.638 -7.009 -6.778 13.787 -6.552 -6.336 12.888 38 F 19 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) PT19944.700S 2024-09-26T01:46:51.000 -24.83201 -24.83126 -24.82936 -24.82860 -24.82823 -24.82773 -19.31386 -19.30728 -19.26038 -19.24882 -14.54789 -14.53179 -14.40769 -14.40455 -10.52853 -10.52651 -10.45039 -10.43732 -10.38915 -10.37839 -10.37513 -10.35503 -10.34986 -10.34147 -10.33935 -10.32489 -6.84910 -1.39253 -1.38935 -1.29718 -1.29433 -1.29413 -1.29174 -1.22186 -1.20978 -1.17913 -1.12485 -1.11436 -1.04406 -1.03743 -0.93735 -0.89996 -0.89664 -0.83659 -0.83469 -0.79769 -0.79621 -0.78102 -0.75356 -0.74017 -0.70262 -0.69741 -0.67800 -0.67690 -0.67196 -0.66947 -0.66775 -0.65747 -0.63901 -0.62990 -0.61785 -0.61064 -0.59576 -0.59095 -0.58518 -0.57786 -0.57682 -0.57028 -0.56502 -0.55545 -0.54949 -0.54763 -0.54617 -0.54099 -0.53798 -0.52083 -0.51798 -0.51501 -0.51305 -0.50349 -0.50204 -0.50004 -0.49582 -0.48264 -0.48046 -0.47993 -0.47832 -0.46513 -0.45474 -0.45039 -0.44653 -0.44343 -0.43892 -0.40058 -0.39478 -0.38412 -0.37236 -0.36793 -0.36016 -0.35808 -0.33456 -0.25908 0.03131 0.06034 0.06883 0.08643 0.09818 0.12163 0.15149 0.15970 0.16679 0.16845 0.17272 0.18698 0.19593 0.20393 0.20985 0.21653 0.21893 0.21933 0.22446 0.23221 0.23295 0.24112 0.25498 0.27624 0.28350 0.28961 0.29322 0.30636 0.31208 0.31828 0.32532 0.33221 0.33284 0.34598 0.35962 0.36390 0.37013 0.39117 0.40195 0.40820 0.41638 0.42758 0.42956 0.44563 0.45375 0.46285 0.47425 0.48893 0.50594 0.50756 0.52026 0.52063 0.52472 0.53299 0.53663 0.53944 0.54777 0.54985 0.56325 0.56662 0.57936 0.58597 0.59269 0.59906 0.60875 0.60956 0.62318 0.63636 0.64113 0.64562 0.66074 0.67487 0.69106 0.69261 0.69975 0.70761 0.71358 0.71778 0.72292 0.72723 0.73043 0.73466 0.73731 0.74032 0.74410 0.75549 0.75642 0.76406 0.77122 0.78517 0.78768 0.79304 0.79732 0.80760 0.81004 0.82771 0.83102 0.85135 0.86145 0.87003 0.87456 0.88364 0.90116 0.91544 0.93348 0.94144 0.95535 0.99727 1.00939 1.02632 1.02966 1.04096 1.05516 1.06613 1.07871 1.09027 1.10265 1.11410 1.11902 1.14460 1.15831 1.16181 1.17336 1.18143 1.18762 1.19417 1.20366 1.20964 1.21537 1.22355 1.23160 1.23636 1.25115 1.25612 1.25741 1.28202 1.29332 1.30032 1.30317 1.32059 1.33023 1.34120 1.34717 1.35705 1.37779 1.38810 1.39425 1.40451 1.41142 1.41511 1.42951 1.44075 1.44886 1.45045 1.47021 1.47540 1.49023 1.49812 1.50771 1.53070 1.53280 1.54325 1.55049 1.56239 1.57169 1.57974 1.58202 1.58847 1.59618 1.60121 1.61446 1.62183 1.63395 1.63868 1.65066 1.66010 1.66902 1.67382 1.68655 1.69353 1.71950 1.74049 1.76305 1.77625 1.78348 1.79391 1.80343 1.81511 1.84149 1.85001 1.85935 1.86114 1.86931 1.87896 1.88427 1.88922 1.89771 1.90149 1.90815 1.91076 1.92346 1.93254 1.93628 1.95693 1.95985 1.97287 1.98262 1.99047 1.99207 1.99472 1.99587 2.00142 2.01234 2.02307 2.02845 2.04044 2.05846 2.06618 2.08388 2.09210 2.09876 2.10081 2.10747 2.12202 2.13162 2.14717 2.15661 2.18495 2.21152 2.21611 2.22578 2.24424 2.25318 2.26565 2.28567 2.30379 2.31474 2.33252 2.34467 2.37033 2.39770 2.40460 2.40858 2.42170 2.43524 2.45348 2.46465 2.46671 2.48170 2.50290 2.52298 2.54648 2.56024 2.57049 2.60989 2.62649 2.65129 2.72524 2.73395 2.73898 2.74115 2.75389 2.76244 2.76730 2.77551 2.78772 2.79193 2.80746 2.82577 2.85764 2.86326 2.88150 2.88552 2.90102 2.90989 2.91884 2.93999 2.95578 2.96825 2.97647 2.99127 3.01212 3.02960 3.06633 3.07640 3.09635 3.10725 3.11030 3.12336 3.13487 3.14166 3.14380 3.14899 3.15035 3.15284 3.15465 3.15530 3.15669 3.16305 3.16537 3.17239 3.18642 3.20679 3.20837 3.23929 3.26479 3.27406 3.28250 3.29060 3.29717 3.30232 3.31717 3.34938 3.35421 3.42272 3.50223 3.53192 3.53386 3.53908 3.56673 3.63590 3.64579 3.67598 3.68349 3.69132 3.71766 3.74181 3.76451 3.77685 3.77944 3.78230 3.79461 3.95556 3.95742 3.96470 4.01292 -24.83200 -24.83101 -24.82917 -24.82823 -24.82819 -24.82736 -19.31386 -19.30730 -19.26039 -19.24863 -14.54692 -14.53087 -14.40726 -14.40407 -10.52878 -10.52676 -10.45039 -10.43734 -10.38995 -10.37822 -10.37501 -10.35503 -10.34984 -10.33839 -10.33644 -10.32488 -6.84651 -1.39212 -1.38897 -1.29694 -1.29401 -1.29346 -1.29103 -1.22186 -1.20973 -1.17794 -1.12484 -1.11412 -1.03701 -1.03511 -0.93332 -0.89902 -0.89655 -0.83655 -0.82790 -0.79765 -0.79444 -0.78007 -0.75302 -0.73545 -0.70044 -0.69519 -0.67739 -0.67664 -0.67067 -0.66861 -0.66719 -0.65740 -0.63374 -0.62912 -0.61773 -0.61007 -0.59100 -0.58851 -0.58265 -0.57721 -0.57597 -0.56987 -0.56478 -0.55484 -0.54798 -0.54671 -0.54355 -0.54025 -0.53630 -0.52008 -0.51639 -0.51336 -0.51022 -0.50270 -0.50122 -0.49924 -0.49554 -0.48227 -0.47998 -0.47856 -0.46476 -0.45633 -0.45171 -0.44774 -0.44569 -0.43943 -0.43592 -0.40042 -0.39349 -0.38396 -0.36742 -0.36503 -0.35443 -0.34829 -0.33294 -0.04583 0.04700 0.06273 0.07221 0.09250 0.12104 0.12213 0.15134 0.15975 0.16688 0.16855 0.17282 0.18862 0.19931 0.20956 0.21200 0.21705 0.21896 0.21982 0.22436 0.23345 0.23598 0.24199 0.25644 0.27639 0.28408 0.29219 0.29736 0.31005 0.31272 0.31900 0.32862 0.33265 0.33367 0.35257 0.36197 0.36703 0.37686 0.39313 0.40407 0.40924 0.41878 0.42911 0.43184 0.44927 0.45854 0.46381 0.48047 0.49245 0.50608 0.51023 0.52112 0.52228 0.52574 0.53437 0.53754 0.54059 0.54969 0.55040 0.56385 0.56737 0.57961 0.58658 0.59364 0.60083 0.60967 0.61153 0.62469 0.63705 0.64359 0.64663 0.66133 0.67626 0.69176 0.69331 0.70035 0.70853 0.71452 0.71889 0.72383 0.72794 0.73083 0.73568 0.73902 0.74106 0.74598 0.75594 0.75743 0.76441 0.77276 0.78610 0.78896 0.79399 0.79843 0.80829 0.81159 0.82900 0.83306 0.85407 0.86370 0.87151 0.87719 0.88550 0.90281 0.91799 0.93442 0.94162 0.95607 0.99909 1.01055 1.02796 1.03176 1.04258 1.05730 1.06730 1.08021 1.09554 1.10783 1.11527 1.11967 1.14585 1.16043 1.16267 1.18047 1.18295 1.18982 1.19818 1.20728 1.21029 1.21658 1.22713 1.23322 1.23740 1.25325 1.25735 1.25876 1.28301 1.29477 1.30206 1.30552 1.32129 1.33130 1.34244 1.34865 1.35744 1.37879 1.38949 1.39478 1.40613 1.41271 1.41735 1.43027 1.44212 1.45058 1.45357 1.47278 1.47733 1.49250 1.50124 1.51373 1.53182 1.53399 1.54563 1.55255 1.56598 1.57336 1.58098 1.58535 1.59284 1.59893 1.60473 1.61566 1.62350 1.63436 1.63989 1.65243 1.66093 1.67041 1.67442 1.68793 1.69369 1.72067 1.74320 1.76413 1.77681 1.78392 1.79525 1.80414 1.81562 1.84203 1.85118 1.85963 1.86231 1.87058 1.87946 1.88577 1.89148 1.89926 1.90331 1.90874 1.91595 1.92601 1.93554 1.93655 1.95756 1.96092 1.97502 1.98367 1.99127 1.99308 1.99579 1.99779 2.00251 2.01392 2.02353 2.02891 2.04172 2.06001 2.06754 2.08567 2.09320 2.10106 2.10357 2.10843 2.12364 2.13471 2.14799 2.15770 2.18658 2.21157 2.21614 2.22572 2.24550 2.25338 2.26582 2.28657 2.30483 2.31522 2.34040 2.34713 2.37205 2.39778 2.40478 2.40992 2.42383 2.43622 2.45613 2.46628 2.47117 2.48630 2.50455 2.52766 2.54920 2.56229 2.57344 2.61019 2.62664 2.65950 2.72657 2.73554 2.74133 2.74517 2.75404 2.76378 2.76823 2.77744 2.78853 2.79331 2.81032 2.82952 2.86249 2.86744 2.88379 2.88821 2.90218 2.91042 2.91916 2.94182 2.95779 2.96879 2.97832 2.99134 3.01233 3.02969 3.06721 3.07662 3.09788 3.10763 3.11070 3.12364 3.13501 3.14204 3.14426 3.14931 3.15062 3.15311 3.15491 3.15567 3.15693 3.16349 3.16576 3.17339 3.18754 3.20759 3.20927 3.24000 3.26493 3.27497 3.28317 3.29097 3.29759 3.30320 3.31734 3.34991 3.35500 3.42364 3.50362 3.53197 3.53408 3.53916 3.56741 3.63660 3.64623 3.67650 3.68387 3.69172 3.71771 3.74207 3.76517 3.77690 3.77974 3.78246 3.79507 3.95599 3.95780 3.96488 4.01308 2-A. -3.08515757e+00 1.01120839e+00 -6.90372106e-02 2.08741881e+02 -2.22010102e+01 1.83222154e+02 5.05673863e+00 3.88085598e+00 1.28015770e+02 -0.6784 -0.0011 -0.0010 -0.0004 1.5816 5.5269 32.1971 38.6013 42.5435 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 32.1162 38.5735 42.5361 54.1023 59.7847 63.7996 66.2967 74.2220 83.8003 94.4563 99.3282 122.7311 129.0095 137.7633 148.5472 151.1840 152.4513 171.4615 193.0206 205.1309 208.2744 250.6719 257.9759 277.5035 278.7510 286.0402 313.8988 322.6152 332.0026 391.0427 418.5305 435.3193 470.2368 499.4918 503.5286 549.5904 578.5819 588.7888 613.4810 639.2751 648.7461 659.7914 662.4070 711.0456 746.6535 750.3686 755.6139 770.4082 780.9028 789.0403 823.1917 850.1112 888.9282 928.9218 941.6014 950.1791 956.6164 976.8845 982.9484 998.0350 1086.3586 1088.2314 1101.4344 1113.3326 1169.8467 1171.5324 1182.4129 1183.0280 1184.0688 1191.1726 1201.0107 1211.4084 1214.1710 1219.3367 1222.2579 1237.8200 1275.5635 1280.8155 1326.4519 1361.2701 1376.7516 1387.4565 1410.1782 1435.5479 1445.8918 1466.5503 1471.6795 1479.0124 1482.4854 1488.5183 1492.0415 1495.7414 1522.2283 1559.2953 1581.3925 1591.3945 1678.6726 1824.3289 1882.8057 3069.3772 3069.8446 3101.8294 3170.5925 3177.4988 3213.1140 3214.3609 3218.6539 3265.3605 3308.5229 3327.4335 3648.6265 11.1203 7.5602 6.4339 5.7972 6.5388 11.7404 8.0879 5.4401 6.0197 3.8022 4.1108 7.1775 10.9068 7.9925 1.2763 1.9949 3.6427 3.3845 4.6978 10.0796 3.5488 3.8958 8.1191 7.5690 9.1590 4.2427 4.2630 16.3656 16.2503 6.9487 2.5827 10.6013 14.8514 13.4584 13.8852 17.5681 3.3957 16.1316 13.4527 3.4901 10.0410 13.7001 7.1386 3.7388 1.8204 16.5354 1.2176 2.1948 15.9536 13.1530 4.8900 10.8194 1.3532 3.4203 4.4125 1.3513 3.0378 3.3594 3.4739 12.8254 3.2362 4.6385 1.4025 1.5373 4.7192 1.4695 1.3006 3.8797 1.6865 2.4405 11.2981 3.2844 1.4655 1.8019 5.4311 12.4912 6.4352 2.6412 2.5709 11.0957 2.7611 2.4222 1.8984 9.2635 1.1419 1.0452 1.0575 1.1088 1.0574 1.2813 1.8683 2.2458 5.8256 4.8723 11.6290 9.4832 3.2427 10.2112 11.7380 1.0327 1.0315 1.0655 1.1076 1.1087 1.1032 1.1083 1.1077 1.0961 1.0937 1.1120 1.0839 0.0068 0.0066 0.0069 0.0100 0.0138 0.0282 0.0209 0.0177 0.0249 0.0200 0.0239 0.0637 0.1070 0.0894 0.0166 0.0269 0.0499 0.0586 0.1031 0.2499 0.0907 0.1442 0.3184 0.3434 0.4193 0.2045 0.2475 1.0036 1.0553 0.6260 0.2665 1.1837 1.9349 1.9783 2.0742 3.1265 0.6697 3.2949 2.9831 0.8404 2.4899 3.5139 1.8455 1.1137 0.5979 5.4855 0.4096 0.7675 5.7320 4.8247 1.9523 4.6069 0.6300 1.7389 2.3050 0.7188 1.6379 1.8888 1.9776 7.5268 2.2502 3.2364 1.0025 1.1227 3.8052 1.1883 1.0714 3.1992 1.3931 2.0402 9.6017 2.8398 1.2729 1.5784 4.7804 11.2763 6.1690 2.5529 2.6651 12.1142 3.0835 2.7472 2.2242 11.2477 1.4065 1.3245 1.3494 1.4290 1.3693 1.6727 2.4505 2.9604 7.9534 6.9797 17.1346 14.1501 5.3838 20.0231 24.5162 5.7322 5.7274 6.0398 6.5599 6.5951 6.7103 6.7469 6.7613 6.8860 7.0539 7.2542 8.5015 0.1321 0.5143 1.5706 0.2636 1.7385 0.0969 0.3535 4.1401 0.2866 0.6412 3.3538 1.2373 0.7436 4.6506 0.3410 1.1942 0.3985 0.3136 5.8278 0.6928 2.5750 17.4570 10.8516 6.7221 0.5121 8.2802 19.3992 2.0730 0.2785 14.8183 0.4295 1.0845 1.5978 2.9154 2.9707 0.1058 36.1186 1.6259 8.5908 1.4576 14.5928 1.5890 17.0794 5.6183 1.6863 28.1596 102.8485 17.9198 14.8421 0.1915 9.5709 9.5396 17.2110 3.3126 15.4661 66.0564 27.4516 8.7566 3.5815 74.1770 1.5911 6.4486 48.5699 0.5115 55.5887 117.2789 4.8482 144.9803 51.1043 58.1700 41.8872 11.6010 1.2868 62.3138 348.0426 310.0615 373.0863 236.1344 14.4627 198.9558 155.6578 48.6597 308.3506 56.7337 21.4541 5.7985 12.2260 35.6295 6.5790 28.0938 126.7046 51.7420 28.3957 6.4675 124.6167 95.9268 83.5136 128.1432 400.8580 32.5196 18.4941 0.1299 11.7045 7.1182 0.9000 9.5345 2.3862 1010.3151 3.6092 3.8765 119.8328 -0.01 -0.00 0.07 -0.00 0.00 -0.03 -0.00 0.01 0.02 0.04 0.06 0.11 0.06 0.07 0.11 -0.00 -0.00 0.12 0.05 0.08 0.05 -0.01 -0.02 0.10 0.06 0.09 0.01 0.06 0.09 0.04 -0.03 -0.04 0.14 -0.05 -0.10 0.14 -0.07 -0.12 0.16 -0.06 -0.10 0.16 -0.06 -0.11 0.09 0.06 0.09 0.02 0.07 0.10 -0.00 0.04 0.09 0.03 0.09 0.09 0.04 -0.01 -0.00 -0.05 -0.02 -0.03 -0.19 -0.04 -0.02 -0.19 -0.03 -0.04 -0.24 -0.06 -0.03 -0.25 -0.00 -0.02 -0.10 -0.03 -0.00 -0.10 0.01 -0.02 -0.07 -0.04 0.01 -0.08 -0.00 0.01 -0.05 -0.00 0.00 0.10 -0.01 -0.03 0.13 -0.00 -0.00 -0.15 -0.05 0.09 -0.20 0.04 -0.09 -0.19 0.00 -0.02 -0.20 -0.00 0.11 -0.03 -0.03 0.04 0.36 0.00 -0.26 0.11 0.07 0.07 0.15 -0.02 0.00 -0.03 -0.01 0.00 -0.04 -0.02 -0.00 -0.06 0.11 -0.03 -0.00 0.12 -0.03 -0.08 -0.02 0.01 0.04 0.16 -0.04 -0.01 -0.05 0.02 0.13 0.19 -0.02 -0.00 0.15 -0.08 -0.02 -0.09 0.02 -0.04 -0.24 0.05 -0.02 -0.29 0.06 -0.10 -0.27 0.07 0.09 -0.26 0.05 -0.05 0.18 -0.11 0.01 0.15 -0.17 0.12 0.29 -0.12 -0.02 0.11 -0.06 -0.04 -0.02 0.00 -0.06 -0.01 0.02 -0.02 -0.01 0.01 -0.10 -0.01 0.03 0.02 -0.00 0.01 -0.15 -0.01 0.01 0.01 -0.01 0.00 -0.12 -0.02 0.02 0.06 -0.01 -0.00 -0.17 -0.01 -0.00 -0.06 -0.02 -0.00 -0.05 -0.04 0.02 0.05 -0.01 0.01 -0.01 0.12 0.05 0.06 -0.12 -0.01 0.09 -0.02 -0.01 -0.13 0.02 -0.05 0.21 -0.00 -0.02 -0.04 -0.16 0.14 0.09 0.16 -0.05 0.07 0.01 -0.02 -0.04 0.01 -0.02 -0.08 0.01 -0.03 -0.08 0.04 0.05 -0.00 0.09 0.10 0.01 0.02 -0.02 -0.00 -0.03 0.10 -0.03 0.03 -0.03 -0.04 -0.10 0.06 -0.05 -0.02 0.19 -0.05 -0.01 -0.07 0.04 -0.03 -0.16 0.03 -0.05 -0.19 0.08 -0.03 -0.16 0.05 -0.02 -0.18 -0.03 -0.09 0.24 -0.07 -0.08 0.30 -0.07 -0.14 0.22 -0.10 -0.11 0.24 -0.08 0.01 -0.02 0.00 0.03 -0.02 0.16 0.04 -0.02 0.24 0.03 -0.01 0.19 0.05 -0.02 0.36 0.01 -0.02 0.01 0.03 -0.02 0.14 0.01 -0.02 -0.05 0.04 -0.03 0.17 0.01 -0.03 -0.11 0.01 -0.03 -0.04 -0.01 -0.02 0.03 0.02 -0.02 -0.07 0.11 0.02 -0.01 -0.07 -0.04 0.01 0.01 -0.03 -0.17 0.04 -0.05 0.13 0.02 -0.04 -0.02 -0.09 0.05 0.05 0.07 0.01 0.01 -0.00 0.02 0.01 -0.02 0.03 -0.02 0.00 0.05 0.03 -0.14 0.04 0.07 -0.24 -0.03 0.17 -0.01 0.00 0.03 -0.02 0.02 0.03 0.03 -0.01 -0.07 0.07 0.07 0.01 -0.03 -0.08 0.01 0.07 -0.01 0.11 0.26 -0.03 0.09 0.33 -0.04 0.18 0.30 -0.05 -0.05 0.29 -0.03 0.14 0.08 -0.13 -0.01 0.06 -0.21 -0.04 0.12 -0.12 0.00 0.14 -0.10 0.01 -0.01 0.03 0.01 -0.03 -0.03 -0.06 -0.06 -0.01 0.01 -0.03 -0.06 -0.12 -0.09 -0.02 0.03 0.00 -0.00 -0.06 -0.04 0.03 0.05 0.02 -0.01 -0.10 -0.06 0.06 0.10 -0.02 0.05 -0.00 0.01 0.03 0.05 0.00 -0.01 0.02 -0.04 0.01 -0.07 -0.09 0.02 -0.11 0.00 -0.03 -0.11 -0.05 0.03 -0.06 -0.00 -0.12 0.16 0.07 -0.06 -0.12 -0.06 0.14 0.05 -0.21 0.19 0.02 -0.02 0.01 -0.05 -0.02 0.00 -0.05 -0.02 -0.00 -0.13 -0.11 0.07 0.02 -0.21 -0.02 0.10 -0.03 0.01 -0.01 0.05 0.04 -0.05 0.01 0.01 -0.09 0.16 0.12 -0.08 0.04 -0.08 -0.07 0.00 -0.03 0.07 0.10 -0.10 0.05 0.12 -0.13 0.13 0.12 -0.10 -0.02 0.14 -0.12 0.04 0.17 -0.14 -0.08 0.13 -0.26 -0.05 0.27 -0.15 -0.10 0.18 -0.07 -0.10 -0.02 0.00 -0.06 -0.00 0.01 0.08 0.01 0.01 0.16 0.00 0.02 0.11 0.02 0.01 0.28 -0.02 0.01 -0.06 0.00 0.00 0.07 -0.02 0.00 -0.12 0.01 -0.00 0.10 -0.01 0.00 -0.11 -0.02 0.00 -0.10 -0.03 0.01 -0.01 -0.03 0.00 0.06 0.05 -0.06 0.12 -0.10 0.05 0.12 -0.05 0.02 0.06 -0.01 0.11 -0.10 -0.06 0.06 0.14 -0.04 -0.13 -0.02 -0.16 0.24 0.00 -0.03 -0.01 0.02 -0.03 -0.01 0.00 -0.01 0.01 -0.10 0.18 0.03 -0.08 0.22 0.06 -0.12 0.08 0.01 -0.06 0.13 0.05 -0.09 0.03 -0.01 -0.01 0.10 0.03 -0.08 0.14 0.10 -0.08 0.05 0.02 -0.10 -0.09 0.00 -0.09 -0.12 0.00 -0.13 -0.12 -0.02 0.01 -0.13 0.01 -0.15 0.08 0.12 -0.05 0.08 0.16 -0.03 0.06 0.13 -0.04 0.04 0.08 -0.06 -0.02 -0.00 -0.06 -0.02 -0.04 0.07 -0.04 -0.03 0.10 -0.01 -0.06 0.12 -0.05 -0.03 0.17 -0.01 -0.02 -0.03 -0.04 -0.00 0.02 0.01 -0.03 -0.05 -0.05 0.01 0.02 -0.02 0.01 -0.09 -0.01 -0.00 -0.04 -0.04 -0.03 0.10 -0.05 -0.02 0.03 -0.32 -0.20 -0.10 0.18 0.09 -0.17 -0.04 0.03 0.37 -0.02 -0.06 0.16 0.01 -0.04 0.09 -0.11 0.01 0.12 0.22 -0.02 -0.04 -0.02 -0.05 -0.02 0.04 -0.07 0.00 -0.03 -0.15 -0.02 -0.14 0.03 0.03 -0.19 -0.01 0.05 -0.09 0.03 0.01 -0.07 0.01 0.02 -0.05 0.05 -0.02 -0.00 0.05 -0.02 -0.09 -0.07 0.04 -0.10 -0.00 0.05 -0.07 -0.03 0.04 -0.12 -0.08 0.07 -0.06 0.03 0.02 0.00 -0.08 0.02 -0.01 -0.11 0.02 -0.03 -0.17 0.02 0.04 -0.11 0.01 0.01 -0.06 0.02 -0.00 -0.10 -0.01 0.07 0.16 0.02 0.21 0.07 0.02 0.05 0.29 0.03 0.33 0.11 0.03 -0.05 0.05 -0.00 0.16 -0.08 -0.00 -0.15 0.07 -0.00 0.25 -0.20 0.00 0.04 -0.14 0.00 -0.07 -0.09 -0.03 -0.06 0.07 0.02 0.11 -0.04 -0.04 0.02 -0.01 -0.10 0.21 0.02 -0.12 0.18 -0.08 0.05 0.04 0.12 0.07 -0.15 0.08 -0.01 -0.09 0.14 0.03 -0.17 0.09 0.01 -0.06 -0.06 -0.04 -0.04 -0.07 -0.01 -0.06 -0.08 -0.03 0.06 0.04 0.01 0.08 0.05 -0.00 0.07 0.07 0.01 0.03 0.04 0.04 0.00 0.02 0.04 0.01 0.03 0.05 0.04 0.06 0.03 0.16 0.16 -0.03 0.25 0.28 -0.02 0.33 0.34 -0.06 0.27 0.24 -0.10 0.23 0.33 0.10 0.01 0.08 0.04 -0.00 0.08 0.11 0.06 0.05 0.00 -0.05 0.11 -0.00 -0.05 -0.06 -0.02 -0.02 0.04 0.05 0.03 0.01 -0.01 -0.02 0.09 0.09 0.08 0.02 -0.03 -0.06 -0.00 0.04 0.01 -0.05 -0.05 -0.10 0.01 0.06 0.04 -0.10 -0.09 -0.04 -0.08 -0.01 -0.06 -0.07 -0.06 -0.07 -0.04 -0.01 -0.01 -0.05 -0.01 0.03 -0.02 0.00 -0.04 -0.05 0.01 0.01 -0.08 -0.05 -0.04 -0.02 -0.00 -0.08 -0.03 0.02 -0.10 -0.06 -0.00 0.06 0.01 0.00 -0.04 -0.03 0.10 -0.02 -0.04 0.03 -0.04 -0.05 0.13 0.09 0.10 -0.07 0.10 0.11 -0.08 0.04 0.06 -0.06 0.08 0.09 -0.05 0.00 0.02 -0.06 0.12 0.12 -0.10 0.04 0.05 0.06 0.01 0.03 -0.05 -0.08 -0.04 -0.05 -0.10 -0.06 -0.04 -0.10 -0.07 0.02 -0.11 -0.05 -0.13 0.04 0.01 0.14 0.02 -0.03 0.25 0.16 0.02 0.13 -0.04 0.03 0.09 -0.04 -0.04 0.08 -0.05 0.01 -0.20 -0.00 -0.01 0.05 -0.07 0.03 -0.38 0.02 -0.00 0.11 -0.07 -0.01 -0.17 -0.00 -0.04 0.21 -0.09 -0.02 -0.25 0.03 -0.06 0.38 -0.02 -0.05 0.04 -0.06 -0.04 0.19 -0.02 -0.02 -0.01 0.01 -0.02 0.01 0.03 0.01 0.03 -0.01 -0.02 0.03 0.03 -0.05 -0.02 -0.08 -0.04 -0.05 -0.07 -0.03 -0.09 0.09 0.04 -0.03 0.11 0.08 -0.04 -0.02 0.01 -0.04 -0.02 0.01 0.01 -0.02 0.01 -0.00 0.07 0.01 -0.04 0.08 0.01 -0.04 0.09 0.00 -0.05 0.03 -0.00 0.01 0.14 0.03 -0.09 0.04 0.00 -0.05 -0.01 -0.02 0.14 0.03 -0.08 -0.01 0.02 -0.16 -0.02 -0.03 -0.22 0.03 0.02 -0.13 -0.00 0.06 -0.21 -0.09 -0.06 -0.03 0.21 -0.13 -0.10 0.56 0.24 -0.11 0.09 -0.33 0.12 0.03 -0.01 0.03 0.00 0.01 0.07 0.09 0.02 0.06 -0.04 0.01 0.10 0.16 0.03 0.07 -0.09 -0.01 0.06 0.11 0.01 0.04 -0.09 0.00 0.06 0.14 0.02 0.02 -0.17 -0.03 0.01 0.04 -0.01 0.01 -0.05 -0.02 -0.00 -0.02 -0.03 0.01 -0.01 -0.04 0.02 -0.02 -0.03 -0.02 -0.02 -0.04 0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.05 -0.02 -0.02 0.07 -0.03 -0.07 0.04 0.02 -0.07 0.03 0.02 -0.04 0.04 0.03 -0.08 -0.03 -0.01 0.03 -0.01 0.00 0.02 -0.06 -0.01 0.04 -0.02 0.01 -0.00 -0.12 -0.05 0.08 0.03 0.05 -0.14 -0.08 -0.03 0.16 -0.01 0.06 0.00 -0.04 0.12 0.01 0.02 0.19 -0.04 -0.04 0.06 0.02 -0.11 0.17 0.06 -0.09 -0.03 0.16 -0.17 -0.13 0.53 0.24 -0.15 -0.01 -0.35 0.19 -0.04 0.02 -0.00 -0.05 0.00 -0.10 0.01 -0.05 -0.07 0.09 0.01 -0.16 0.01 -0.09 -0.08 0.17 0.04 -0.06 -0.08 -0.03 -0.01 0.05 0.06 -0.06 -0.10 -0.06 0.03 0.08 0.03 0.02 -0.04 0.04 0.02 -0.09 0.04 -0.01 -0.02 0.03 0.02 -0.02 0.02 -0.00 -0.02 0.03 0.04 -0.03 0.03 0.02 0.01 0.05 -0.01 -0.00 0.07 -0.01 0.01 -0.02 -0.03 -0.01 -0.01 -0.01 0.06 -0.02 -0.00 0.05 -0.00 -0.00 0.07 -0.02 -0.01 0.06 -0.09 0.12 -0.05 -0.13 0.09 -0.00 -0.07 0.05 -0.06 -0.01 0.11 -0.09 -0.09 0.00 -0.10 0.07 0.16 -0.14 -0.03 0.03 -0.04 -0.02 0.05 -0.02 -0.03 -0.03 -0.02 0.03 -0.01 0.02 -0.04 -0.12 -0.02 -0.10 -0.01 -0.07 0.06 -0.02 -0.05 0.06 -0.06 -0.18 -0.00 0.03 0.01 0.17 -0.06 0.02 -0.05 -0.03 0.04 -0.05 -0.08 0.19 -0.10 -0.06 -0.06 -0.04 -0.10 0.33 -0.13 -0.07 -0.18 -0.03 -0.05 0.24 -0.10 -0.04 -0.15 -0.01 -0.05 0.30 -0.13 -0.01 -0.30 -0.01 -0.02 0.08 -0.02 -0.01 0.04 0.01 -0.07 0.02 0.08 0.04 0.02 0.07 0.14 0.00 0.10 0.06 0.01 0.16 -0.03 0.00 -0.06 -0.13 0.00 0.08 -0.09 0.01 0.04 -0.08 0.01 -0.10 0.20 -0.04 -0.06 0.02 -0.10 -0.04 0.03 -0.08 -0.05 0.01 -0.06 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.05 0.05 -0.01 -0.03 -0.04 0.12 0.09 0.08 -0.03 -0.09 -0.09 0.35 0.03 -0.02 -0.04 0.01 0.01 0.01 -0.07 -0.07 0.01 -0.15 -0.14 0.03 -0.09 -0.03 0.08 -0.03 -0.12 -0.09 0.01 -0.05 0.05 -0.02 -0.10 0.19 0.14 -0.06 0.03 -0.11 -0.03 -0.02 -0.05 0.02 -0.03 -0.05 0.06 -0.14 -0.01 0.05 0.04 -0.06 0.08 -0.24 0.01 0.06 0.12 -0.07 0.04 -0.16 -0.01 0.03 0.10 -0.07 0.04 -0.23 0.01 0.01 0.20 -0.05 0.00 -0.05 -0.05 0.03 -0.10 -0.04 -0.11 -0.03 0.08 0.10 -0.01 0.11 0.12 0.00 0.08 0.28 -0.01 0.21 0.02 0.06 -0.10 -0.19 -0.01 0.13 -0.13 0.03 -0.15 -0.19 -0.01 -0.03 -0.04 -0.06 0.06 -0.03 -0.10 0.04 -0.03 0.05 0.05 -0.01 0.00 -0.05 0.17 -0.07 -0.09 0.14 -0.04 0.02 0.15 -0.09 -0.03 0.11 0.08 0.02 0.11 -0.16 -0.04 0.09 0.32 -0.00 0.03 -0.03 -0.00 0.10 -0.05 -0.12 -0.02 -0.05 -0.11 -0.04 -0.02 -0.14 -0.10 0.03 -0.19 -0.03 -0.18 0.06 -0.05 0.09 0.03 -0.15 0.13 0.17 -0.00 0.13 0.03 -0.08 0.08 0.02 -0.04 0.02 -0.02 -0.19 -0.01 -0.10 -0.14 -0.00 -0.01 -0.28 -0.03 -0.18 -0.17 -0.01 0.06 -0.12 0.01 -0.07 -0.05 0.02 0.09 -0.14 -0.05 -0.13 0.02 0.01 0.03 -0.01 0.12 0.07 -0.02 -0.14 0.04 0.04 -0.03 -0.01 -0.06 0.01 -0.03 -0.05 -0.01 0.01 -0.15 -0.00 -0.05 -0.04 -0.02 0.15 0.11 0.02 -0.02 0.06 0.01 -0.05 0.03 -0.01 -0.10 0.17 -0.14 0.00 0.00 0.03 0.01 -0.00 -0.03 0.00 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.01 0.04 0.01 -0.00 0.01 0.02 -0.00 0.00 0.00 -0.04 -0.00 -0.00 0.03 0.02 -0.01 -0.44 -0.27 0.00 0.03 0.60 0.01 0.54 -0.24 -0.01 -0.01 -0.00 0.03 -0.01 -0.00 0.05 0.01 0.01 0.04 -0.03 -0.01 0.02 -0.01 -0.01 -0.02 -0.01 -0.03 0.02 -0.02 -0.02 0.00 -0.00 -0.04 0.05 -0.03 -0.02 0.01 0.00 -0.02 0.00 -0.02 -0.01 -0.02 0.01 -0.02 0.01 -0.03 -0.00 -0.03 0.01 -0.00 -0.06 -0.00 -0.00 0.04 0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.03 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.05 0.01 -0.00 -0.02 -0.00 -0.00 0.10 -0.02 -0.01 0.00 -0.03 -0.02 0.01 -0.03 -0.02 0.01 0.01 -0.00 -0.04 -0.02 -0.01 0.01 0.01 -0.01 -0.02 0.03 0.02 -0.09 -0.03 -0.02 0.01 0.03 0.01 0.00 -0.06 -0.05 0.01 0.04 0.14 -0.02 0.15 -0.05 0.03 -0.00 0.04 -0.10 -0.10 -0.08 0.39 0.41 -0.12 -0.32 -0.35 0.34 -0.36 -0.00 0.00 0.12 -0.01 0.01 -0.05 -0.01 0.01 -0.06 -0.02 0.01 -0.12 -0.01 0.01 -0.13 -0.01 0.01 0.06 0.00 0.00 0.06 -0.01 0.01 0.07 0.00 -0.00 0.06 -0.00 -0.00 0.08 0.01 -0.00 0.01 0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.01 -0.03 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.04 0.02 0.01 0.01 0.01 0.01 -0.06 -0.02 -0.01 -0.01 0.02 0.02 -0.00 0.00 -0.07 -0.02 0.00 0.15 -0.01 0.01 -0.00 0.03 -0.03 0.00 0.05 -0.02 -0.01 0.01 -0.02 0.01 0.02 -0.01 -0.02 0.01 -0.01 0.03 0.02 -0.00 -0.11 -0.01 -0.01 0.05 -0.01 -0.02 -0.01 0.01 0.01 -0.01 -0.33 -0.19 -0.02 0.00 0.42 0.02 0.36 -0.17 -0.02 0.02 0.02 -0.06 0.09 0.10 -0.36 -0.25 0.06 0.01 0.26 -0.08 0.09 0.00 0.01 0.00 -0.00 0.01 -0.05 0.00 0.01 0.04 -0.01 0.01 -0.09 0.00 0.01 0.08 -0.00 0.01 -0.07 0.00 0.01 0.07 0.00 0.01 -0.08 0.01 0.01 0.10 -0.02 -0.00 0.20 0.01 0.01 -0.18 -0.01 -0.01 -0.03 -0.01 0.01 0.06 -0.06 0.15 0.00 0.04 -0.09 0.02 0.01 -0.02 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 -0.09 -0.04 -0.01 0.05 -0.05 0.01 -0.02 -0.00 0.11 -0.02 0.00 0.14 0.00 -0.00 -0.09 -0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.03 -0.01 0.00 0.01 -0.01 -0.01 -0.04 -0.02 0.00 -0.00 -0.02 0.09 0.05 0.01 -0.11 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.05 0.01 0.02 0.02 -0.04 -0.02 -0.00 0.01 0.02 -0.01 0.01 -0.03 -0.11 -0.10 0.47 0.41 -0.11 -0.20 -0.39 0.24 -0.28 0.01 -0.00 -0.15 0.03 0.00 0.06 0.03 -0.00 0.08 0.03 0.00 0.14 0.04 0.00 0.18 0.01 -0.00 -0.09 0.02 -0.00 -0.07 0.01 -0.00 -0.10 0.02 -0.01 -0.05 -0.01 -0.00 0.02 -0.00 0.00 -0.02 -0.00 0.00 0.04 -0.01 0.01 0.06 -0.07 0.14 -0.00 0.03 -0.08 0.02 0.01 -0.02 -0.01 -0.06 -0.02 -0.01 -0.03 -0.01 -0.02 0.11 0.04 0.01 -0.01 0.02 0.01 -0.01 -0.01 0.03 0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.04 -0.04 0.05 -0.08 -0.07 0.09 0.09 0.05 0.03 -0.04 -0.04 0.05 0.28 0.22 -0.01 -0.00 -0.01 -0.09 -0.06 -0.05 0.13 -0.06 -0.03 0.01 -0.08 0.10 0.02 0.04 0.22 -0.06 -0.09 -0.02 0.03 -0.23 0.20 0.11 0.03 0.03 -0.19 -0.01 -0.03 -0.06 0.15 -0.18 -0.44 0.02 0.38 -0.31 -0.02 0.00 -0.04 -0.04 -0.05 0.01 -0.07 -0.03 0.03 -0.03 -0.09 0.03 -0.10 -0.04 0.06 -0.01 -0.02 -0.03 -0.06 0.00 -0.01 0.04 -0.03 -0.02 -0.09 0.03 0.00 0.01 -0.02 -0.01 -0.01 -0.02 0.03 -0.00 -0.00 0.02 0.02 -0.02 0.00 0.02 -0.01 0.00 0.02 -0.02 -0.00 0.02 -0.02 -0.00 -0.02 -0.01 0.00 -0.02 -0.01 0.00 0.04 0.01 0.01 -0.10 -0.01 -0.04 -0.02 0.21 -0.02 0.16 0.12 0.02 -0.04 -0.11 0.00 0.00 0.02 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.02 -0.00 0.03 0.04 -0.02 0.01 0.01 0.02 0.01 0.02 -0.02 -0.08 -0.04 -0.00 0.00 0.05 -0.00 0.12 0.13 -0.02 0.03 -0.03 -0.09 -0.06 0.11 0.10 -0.00 0.01 0.02 -0.00 0.01 0.04 0.01 0.03 0.04 -0.02 -0.01 0.02 -0.10 -0.22 -0.00 -0.02 0.04 0.00 0.12 -0.05 -0.00 -0.05 0.18 0.00 0.25 -0.01 -0.00 -0.15 -0.08 0.00 0.07 -0.22 -0.01 -0.24 -0.06 0.01 0.17 -0.35 0.01 0.15 -0.04 0.05 -0.14 0.09 -0.03 -0.01 0.11 -0.01 0.08 0.06 0.01 0.03 -0.07 0.01 0.07 -0.18 0.01 -0.17 0.25 -0.02 -0.20 -0.06 -0.04 0.29 0.06 0.05 -0.05 0.00 -0.01 0.01 0.02 0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.03 -0.00 0.05 0.07 0.03 -0.01 -0.05 -0.01 0.06 -0.07 -0.10 0.01 -0.03 0.01 0.01 -0.07 -0.04 0.11 0.25 0.16 -0.02 -0.10 -0.09 -0.01 -0.38 -0.26 -0.01 -0.19 0.06 0.29 -0.02 -0.22 -0.33 0.05 -0.01 -0.14 0.02 -0.10 -0.07 0.15 -0.17 -0.32 0.08 0.26 -0.22 -0.00 -0.02 -0.01 0.01 0.03 0.01 0.04 0.01 -0.00 0.01 0.05 0.03 0.06 0.02 -0.00 -0.01 0.00 0.00 0.03 -0.02 -0.02 -0.04 0.01 0.01 0.05 -0.04 -0.02 0.01 0.01 -0.01 -0.01 0.01 0.03 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 -0.03 0.03 -0.01 -0.03 -0.01 -0.00 0.02 0.01 0.01 0.01 0.01 0.01 -0.07 -0.01 -0.08 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.10 0.03 -0.08 0.22 0.13 -0.22 -0.07 -0.00 -0.06 0.01 0.02 0.08 -0.12 -0.04 -0.04 -0.01 0.01 0.10 -0.04 -0.00 0.23 -0.16 -0.08 -0.06 0.11 -0.03 -0.08 0.26 0.02 0.00 0.18 -0.08 -0.32 0.14 0.00 0.06 0.13 0.05 -0.10 0.11 -0.03 -0.14 0.14 -0.13 -0.30 0.26 0.35 -0.14 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.03 -0.01 -0.00 0.02 -0.00 0.00 0.03 -0.01 -0.00 0.02 -0.01 -0.00 0.03 -0.02 -0.00 0.00 -0.01 -0.01 0.03 -0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.00 -0.02 0.05 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.02 0.00 0.01 0.20 -0.18 -0.01 -0.03 -0.02 0.01 -0.06 0.03 -0.01 0.06 -0.03 0.01 -0.05 0.02 0.03 -0.10 -0.02 0.14 0.05 -0.02 0.01 -0.02 0.03 -0.01 0.11 0.01 -0.03 0.00 0.05 -0.02 -0.02 0.01 -0.03 0.01 -0.03 -0.00 -0.07 0.09 0.01 -0.12 0.12 -0.10 -0.09 0.16 0.09 -0.07 0.11 0.08 -0.00 -0.02 0.02 -0.00 -0.04 0.00 0.01 0.02 0.06 0.00 -0.06 0.03 0.16 -0.12 0.10 0.20 -0.16 -0.04 0.20 -0.16 -0.07 0.20 -0.16 -0.10 0.18 -0.16 -0.15 0.20 -0.16 0.08 0.20 -0.14 0.04 0.21 -0.16 0.07 0.22 -0.17 0.03 -0.04 -0.01 -0.03 0.01 0.01 0.01 -0.06 -0.04 -0.00 -0.09 0.10 -0.00 -0.11 0.18 -0.03 -0.11 0.18 0.02 -0.08 0.10 0.00 -0.06 -0.03 -0.01 -0.13 -0.03 -0.02 -0.06 -0.03 -0.00 -0.11 0.11 -0.02 0.02 -0.02 0.02 -0.03 -0.01 0.01 -0.03 -0.05 -0.19 -0.05 -0.01 -0.00 -0.14 -0.10 -0.03 -0.03 0.07 -0.01 0.06 -0.07 0.02 -0.02 0.07 -0.02 0.10 -0.05 0.00 0.05 -0.06 0.05 -0.01 0.07 0.02 0.02 -0.05 0.00 0.05 -0.08 0.10 0.03 -0.12 -0.02 0.01 -0.07 -0.07 -0.12 0.07 -0.01 -0.07 0.26 -0.02 -0.27 0.02 -0.05 -0.16 0.05 -0.03 -0.09 -0.10 0.19 -0.09 0.05 -0.10 -0.01 0.00 -0.11 -0.12 0.13 -0.24 0.06 0.03 -0.25 -0.13 -0.01 0.15 -0.02 -0.09 0.15 -0.20 -0.00 0.12 0.02 -0.15 0.09 -0.00 -0.03 -0.22 0.01 -0.04 -0.24 0.08 -0.01 0.06 -0.05 0.01 0.03 -0.09 0.12 -0.01 -0.05 0.03 0.02 -0.01 -0.03 0.01 0.10 0.01 0.05 0.06 -0.00 0.03 0.23 0.03 0.03 -0.08 0.08 -0.01 0.05 -0.04 -0.05 -0.05 -0.01 -0.03 -0.06 -0.07 0.13 0.02 -0.00 0.02 0.05 0.03 0.06 0.04 -0.04 0.01 -0.03 0.04 -0.02 0.07 -0.02 0.00 -0.06 0.02 -0.02 -0.02 0.03 -0.05 0.01 -0.05 -0.00 -0.03 0.05 0.01 -0.06 0.08 -0.08 -0.04 0.11 0.05 -0.03 0.07 0.07 0.06 -0.05 0.02 0.03 -0.14 0.01 0.13 0.00 0.07 0.08 -0.07 0.04 -0.14 -0.15 -0.16 -0.08 0.09 0.09 0.05 0.01 0.09 -0.09 0.21 0.21 0.18 0.05 0.21 -0.20 -0.02 -0.12 -0.01 -0.14 -0.13 -0.26 -0.01 -0.08 0.06 -0.24 -0.08 -0.05 -0.03 0.14 -0.01 -0.07 0.15 0.14 -0.03 -0.04 -0.09 0.04 -0.03 -0.09 0.08 -0.03 -0.13 0.19 0.00 -0.05 0.01 -0.00 0.34 0.08 0.06 0.14 -0.02 -0.02 0.08 -0.04 -0.03 0.02 -0.02 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.09 -0.08 -0.01 -0.01 -0.22 -0.15 -0.06 -0.06 0.10 -0.02 0.11 -0.12 0.02 -0.06 0.09 -0.04 0.17 -0.08 0.02 0.10 -0.08 0.05 -0.02 0.10 0.02 0.03 -0.08 0.00 0.07 -0.13 0.14 0.05 -0.15 -0.05 0.03 -0.11 -0.11 -0.18 0.13 -0.04 -0.09 0.45 -0.08 -0.46 0.07 -0.08 -0.24 0.06 -0.05 0.02 -0.01 -0.09 0.03 -0.04 0.04 0.02 -0.03 0.05 0.04 -0.05 0.10 0.02 -0.04 0.11 0.03 -0.03 -0.07 0.02 -0.02 -0.07 0.04 -0.03 -0.07 0.02 -0.01 -0.04 -0.01 -0.00 0.10 -0.00 0.00 0.11 -0.01 -0.01 -0.03 -0.00 0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.04 -0.01 -0.02 0.03 -0.01 0.02 0.01 -0.01 -0.01 -0.01 -0.02 -0.07 -0.02 -0.01 -0.12 0.14 -0.01 0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.00 0.10 -0.03 -0.04 0.25 0.08 -0.24 -0.02 0.15 0.03 -0.04 -0.01 -0.04 -0.03 0.20 0.16 -0.14 -0.07 -0.12 -0.03 0.02 -0.06 -0.03 0.16 0.03 0.10 -0.16 0.01 0.21 -0.24 0.27 0.13 -0.33 -0.12 0.08 -0.21 -0.18 0.07 -0.09 0.01 0.04 -0.22 0.04 0.21 -0.04 0.05 0.08 -0.08 0.02 0.01 -0.03 0.00 0.01 -0.04 -0.00 0.01 -0.04 0.00 0.01 -0.05 -0.00 0.00 -0.04 0.00 0.01 -0.03 -0.00 0.01 -0.03 0.00 0.01 -0.03 0.03 0.01 -0.03 0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.02 -0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.01 0.03 0.00 0.00 -0.00 0.01 -0.02 0.04 0.01 0.02 0.00 0.00 -0.02 -0.01 -0.02 -0.02 -0.02 -0.01 0.21 -0.26 0.03 0.01 -0.08 0.01 0.08 0.05 -0.00 0.01 -0.00 -0.04 -0.02 0.01 0.01 -0.05 -0.02 0.07 0.01 -0.04 -0.01 0.00 0.00 0.02 -0.01 -0.07 -0.03 0.02 0.01 0.04 -0.00 -0.00 0.03 0.02 -0.04 -0.02 -0.02 0.03 -0.01 -0.04 0.05 -0.07 -0.03 0.05 0.02 -0.03 0.05 0.03 -0.00 0.02 -0.00 -0.00 0.03 -0.01 -0.02 -0.00 -0.02 0.00 0.04 -0.01 -0.06 0.02 0.01 -0.08 0.07 0.00 -0.06 0.06 -0.01 -0.08 0.08 -0.00 -0.04 0.06 -0.03 -0.08 0.05 0.02 -0.06 0.03 0.01 -0.10 0.06 0.02 -0.07 0.03 0.00 0.08 -0.01 -0.22 0.03 -0.02 0.13 -0.00 -0.18 -0.05 0.13 0.13 0.08 0.13 0.17 0.07 0.25 -0.22 -0.01 -0.18 0.42 0.09 0.28 -0.02 0.09 -0.37 -0.16 -0.18 -0.06 -0.23 -0.04 -0.05 0.06 -0.02 0.00 -0.04 -0.02 0.01 0.02 0.03 -0.01 -0.01 0.03 0.01 -0.00 -0.00 0.03 0.01 -0.03 0.00 0.01 0.01 0.00 0.00 -0.03 -0.00 0.01 0.01 -0.02 -0.01 -0.02 0.01 0.01 -0.04 0.01 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.02 0.03 0.00 -0.02 0.01 0.00 -0.02 -0.02 0.00 -0.02 0.01 -0.00 -0.03 0.03 0.03 0.01 0.04 -0.02 -0.05 0.01 -0.02 -0.01 -0.03 -0.02 0.01 0.00 -0.01 0.01 0.03 -0.02 0.02 0.01 0.00 0.01 0.08 -0.03 0.01 -0.04 -0.02 -0.00 -0.01 -0.04 0.01 -0.04 -0.01 -0.01 -0.01 -0.03 -0.02 0.46 0.04 -0.01 -0.39 -0.02 -0.08 0.14 0.05 0.07 -0.15 0.17 -0.27 -0.01 0.02 0.25 -0.12 -0.13 0.23 -0.16 -0.08 -0.14 0.13 -0.30 -0.05 0.07 0.34 0.02 0.08 0.03 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.02 0.01 0.01 0.15 0.16 0.22 0.11 -0.08 0.01 -0.10 0.10 -0.00 0.06 0.02 0.34 0.17 0.27 0.13 -0.11 -0.10 -0.07 -0.01 -0.05 -0.15 0.06 -0.10 -0.19 0.14 -0.11 -0.10 0.08 -0.19 -0.28 0.05 -0.11 -0.22 -0.20 -0.07 -0.10 -0.18 0.03 -0.11 -0.31 -0.08 -0.09 -0.23 -0.10 -0.10 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.04 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.10 -0.10 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.15 0.02 -0.08 0.44 0.26 -0.34 -0.01 0.04 0.02 -0.03 0.01 -0.03 -0.01 -0.01 -0.10 0.05 0.06 0.03 -0.05 -0.09 -0.04 0.02 0.00 0.11 -0.02 0.06 0.15 -0.06 0.07 0.07 -0.04 0.10 0.20 -0.03 0.07 0.19 -0.12 -0.07 -0.07 -0.10 0.01 -0.07 -0.19 -0.10 -0.09 -0.15 -0.07 -0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.02 0.01 -0.01 -0.00 0.01 0.02 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.36 -0.40 0.06 0.06 0.17 -0.03 0.09 0.15 -0.02 0.14 0.29 0.04 -0.03 -0.01 0.02 -0.08 -0.05 0.07 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.01 0.01 0.02 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.02 -0.00 -0.02 0.00 -0.02 -0.04 0.01 -0.03 -0.01 0.01 -0.02 -0.06 0.01 -0.02 -0.04 0.02 0.01 0.01 0.02 0.01 0.00 0.02 0.01 0.01 0.03 0.01 0.02 -0.09 -0.16 -0.00 -0.04 0.05 0.01 0.09 -0.03 0.01 -0.07 0.20 0.02 0.23 0.02 0.02 -0.16 -0.07 -0.01 0.02 -0.18 -0.02 -0.24 -0.06 0.02 0.11 -0.30 -0.01 0.11 0.32 0.00 0.16 0.31 -0.00 -0.02 -0.01 -0.00 0.00 -0.02 -0.00 -0.08 -0.09 -0.04 -0.07 -0.06 0.06 0.18 -0.18 -0.01 -0.01 -0.07 0.08 -0.23 0.01 -0.08 -0.01 -0.13 -0.01 -0.07 0.08 -0.01 -0.08 0.01 0.43 -0.11 0.01 0.43 0.00 0.08 -0.23 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.01 -0.02 0.02 0.04 -0.01 -0.02 -0.00 0.03 -0.03 -0.02 -0.04 0.01 0.00 0.00 -0.03 0.03 -0.02 -0.04 -0.01 0.04 -0.07 0.06 -0.01 -0.09 -0.02 -0.03 0.06 0.02 -0.05 0.07 -0.04 -0.03 0.04 0.05 -0.08 0.02 -0.07 0.09 -0.03 0.01 0.07 -0.03 -0.00 -0.01 0.06 -0.03 -0.00 0.05 0.01 -0.23 0.14 0.16 0.19 -0.10 -0.07 -0.04 -0.28 0.09 0.25 -0.11 0.13 -0.13 -0.24 -0.18 -0.12 0.11 -0.02 0.01 -0.00 0.12 -0.24 -0.04 -0.14 -0.10 -0.05 0.14 0.21 0.04 0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.07 -0.12 0.01 -0.06 0.06 0.01 0.05 -0.01 0.01 -0.08 0.17 0.02 0.17 0.03 0.02 -0.14 -0.05 -0.01 -0.01 -0.14 -0.02 -0.21 -0.03 0.00 0.04 -0.20 -0.02 -0.14 0.20 -0.02 0.35 -0.03 0.01 0.04 -0.12 0.00 -0.09 -0.05 -0.01 0.18 0.12 0.14 0.10 -0.02 -0.19 -0.15 -0.02 0.09 -0.07 -0.05 -0.28 0.00 -0.10 0.21 -0.11 0.31 0.08 0.00 0.00 -0.01 0.22 -0.14 0.09 0.32 -0.05 0.10 0.19 -0.12 -0.02 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.11 0.08 0.01 -0.11 0.06 0.01 -0.11 0.05 0.01 -0.08 0.08 0.02 -0.08 0.08 -0.00 -0.10 0.03 0.00 -0.13 0.10 0.00 -0.16 0.10 -0.03 0.37 -0.14 -0.00 0.24 -0.17 -0.00 0.04 -0.05 0.02 0.10 0.02 0.03 -0.25 -0.01 -0.19 -0.10 0.17 0.25 0.03 0.11 -0.13 -0.09 -0.04 -0.21 -0.08 -0.06 0.02 -0.19 0.09 0.10 -0.01 0.02 0.01 -0.03 -0.01 0.17 0.02 0.01 -0.18 0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.15 0.02 0.01 -0.15 -0.04 -0.02 0.23 0.03 0.01 -0.23 0.21 0.07 -0.25 -0.32 -0.17 -0.02 0.10 0.09 0.36 -0.07 0.33 -0.13 0.08 -0.24 -0.27 -0.00 -0.08 0.33 -0.00 0.03 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.06 0.20 -0.15 -0.27 -0.05 0.16 0.16 0.09 -0.05 0.09 0.04 -0.14 -0.05 -0.03 0.13 -0.10 -0.09 0.01 0.00 -0.07 0.05 -0.01 -0.09 0.04 -0.00 0.02 0.08 0.01 0.08 -0.02 0.00 0.05 0.08 -0.01 0.05 0.18 -0.04 -0.05 -0.03 -0.02 0.04 -0.04 -0.11 -0.11 -0.09 -0.04 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.19 0.68 -0.34 -0.20 0.05 -0.02 -0.17 0.12 -0.01 -0.15 0.07 -0.06 -0.00 0.01 -0.01 -0.03 -0.01 0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.02 0.06 -0.04 -0.01 0.05 -0.03 -0.02 0.06 -0.03 -0.02 0.02 -0.04 -0.05 0.04 -0.04 0.02 0.05 0.00 0.02 0.08 -0.06 0.01 0.09 -0.05 0.04 -0.22 0.06 0.01 -0.19 0.14 0.02 -0.00 -0.22 -0.03 0.16 0.16 0.01 -0.14 -0.21 -0.13 0.01 -0.16 0.25 0.29 0.20 -0.10 0.24 -0.02 -0.21 -0.02 -0.28 0.23 0.01 0.29 0.00 -0.03 0.05 -0.03 0.00 0.02 -0.28 0.01 0.02 -0.28 -0.03 -0.02 0.50 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.01 0.01 0.02 0.13 0.02 -0.01 0.01 0.01 -0.01 0.09 0.02 -0.02 0.06 0.00 -0.01 0.23 0.01 -0.01 -0.11 0.00 0.01 -0.16 0.02 -0.01 -0.09 0.01 0.01 -0.08 -0.01 -0.01 -0.18 -0.02 0.02 -0.17 -0.05 -0.02 0.15 -0.01 0.01 0.17 -0.20 0.03 0.18 0.23 0.01 0.08 -0.03 -0.06 -0.19 -0.10 0.20 -0.04 0.02 -0.17 -0.12 0.11 -0.03 0.24 -0.02 0.02 -0.04 -0.01 -0.01 0.05 -0.01 -0.00 0.05 -0.00 0.00 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.00 -0.25 0.02 -0.00 0.26 -0.05 -0.01 -0.61 0.05 0.00 0.62 0.02 0.00 0.17 -0.01 0.00 -0.20 0.00 0.00 0.13 -0.00 -0.00 -0.06 -0.01 0.00 -0.03 0.01 -0.00 -0.03 0.00 0.00 -0.01 0.01 0.00 -0.01 0.02 -0.01 -0.02 -0.02 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.01 0.01 0.00 0.02 0.01 -0.01 0.00 -0.03 -0.00 -0.00 -0.01 -0.03 -0.08 0.26 -0.10 -0.04 0.26 -0.00 0.01 0.46 0.01 0.00 0.01 -0.00 -0.01 0.01 0.06 0.05 -0.02 -0.03 -0.03 0.08 -0.02 -0.02 -0.00 0.01 0.00 -0.03 0.01 0.01 -0.02 -0.02 -0.02 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 0.04 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.01 0.01 -0.02 -0.01 -0.02 0.01 0.00 0.19 0.02 -0.00 0.14 0.00 -0.00 -0.04 0.04 0.01 0.41 0.01 -0.00 -0.06 -0.02 -0.01 -0.22 0.00 -0.01 -0.07 -0.02 -0.01 -0.19 -0.00 -0.01 -0.14 -0.08 0.02 -0.27 0.08 -0.03 -0.26 0.00 0.04 -0.07 0.04 0.03 -0.06 0.07 -0.06 -0.11 -0.08 -0.02 0.02 0.06 0.10 0.05 0.01 -0.06 0.05 0.03 0.11 0.03 -0.05 -0.02 -0.13 -0.05 -0.05 -0.12 -0.07 0.29 0.11 0.24 0.15 0.14 -0.07 -0.14 0.18 -0.01 -0.00 -0.04 -0.01 -0.00 -0.04 -0.10 -0.09 0.01 0.04 0.03 -0.13 0.02 0.04 0.02 -0.01 -0.01 0.05 -0.02 -0.00 0.04 0.04 0.02 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.06 -0.02 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.02 -0.02 0.03 0.05 -0.00 0.03 0.03 0.07 0.02 -0.02 0.03 -0.03 0.00 0.01 0.03 -0.08 0.09 -0.08 -0.01 0.04 0.05 0.03 -0.06 0.00 0.06 -0.04 0.07 0.03 -0.05 -0.01 0.07 -0.02 0.32 -0.09 -0.08 -0.27 0.19 -0.13 0.05 -0.13 -0.03 -0.12 -0.06 -0.04 0.09 0.08 0.10 -0.11 0.06 -0.22 -0.12 -0.21 0.09 0.19 -0.10 -0.16 -0.11 -0.19 0.12 -0.05 0.13 0.02 0.07 0.11 0.14 -0.00 0.06 -0.01 0.06 0.03 -0.01 -0.01 -0.02 -0.04 0.04 0.03 0.10 0.03 0.02 0.12 0.32 0.28 -0.05 -0.13 -0.11 0.41 -0.11 -0.13 -0.04 0.02 0.03 -0.15 0.06 0.00 -0.12 -0.13 -0.05 0.00 -0.01 0.01 -0.02 0.06 0.04 0.02 0.03 0.02 -0.16 0.05 0.02 0.09 -0.01 -0.02 -0.01 -0.01 0.01 0.07 0.01 0.05 0.07 -0.11 -0.14 -0.01 0.00 0.01 -0.02 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.05 -0.02 0.00 -0.00 0.01 0.00 0.03 -0.00 0.02 0.01 -0.00 -0.00 -0.02 -0.00 0.02 0.01 0.07 -0.02 0.03 -0.05 0.04 0.01 0.01 -0.02 0.00 -0.02 -0.02 -0.00 0.01 0.02 0.03 -0.01 0.01 -0.04 -0.03 -0.05 0.01 0.03 -0.01 -0.03 -0.02 -0.04 0.02 -0.00 0.02 0.02 -0.24 -0.28 -0.49 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.11 0.14 0.24 0.14 0.18 0.32 -0.02 -0.02 0.12 0.08 0.10 0.01 0.05 -0.07 -0.10 -0.13 -0.03 -0.04 0.07 -0.11 0.01 -0.07 0.09 -0.04 -0.01 -0.00 -0.12 0.04 -0.08 0.08 0.03 -0.05 -0.25 0.05 -0.06 -0.21 -0.06 -0.09 -0.04 -0.02 0.13 0.01 -0.20 -0.15 -0.10 -0.17 -0.09 -0.09 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.21 0.30 0.47 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.12 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.21 -0.00 0.00 -0.05 -0.00 0.00 -0.01 0.04 0.00 0.46 0.04 0.01 0.47 -0.01 -0.00 -0.09 -0.00 -0.00 -0.03 -0.02 0.00 -0.06 -0.06 0.02 -0.70 -0.00 -0.00 0.04 -0.01 0.00 0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.18 0.06 0.03 -0.07 0.17 -0.04 -0.08 -0.14 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.02 0.04 -0.02 -0.01 0.05 0.01 0.01 -0.01 0.00 0.01 -0.00 0.02 0.00 -0.01 -0.00 0.02 -0.06 -0.12 -0.07 0.00 0.01 -0.16 -0.01 0.30 0.08 0.05 -0.14 0.27 -0.01 -0.11 -0.08 0.30 -0.14 -0.14 -0.24 0.30 0.12 -0.05 0.07 -0.26 -0.21 -0.09 0.30 -0.13 -0.08 -0.07 0.32 -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.06 -0.00 -0.00 0.00 -0.01 -0.00 -0.08 0.03 0.00 0.30 0.02 -0.00 0.42 0.00 -0.00 0.00 -0.00 0.00 -0.08 -0.01 -0.01 -0.07 0.06 -0.02 0.84 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.11 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.19 -0.01 -0.00 -0.12 -0.01 -0.00 -0.11 0.05 -0.00 0.59 0.06 0.00 0.67 0.01 0.00 0.10 0.01 -0.00 0.13 0.01 0.01 0.21 -0.02 0.01 -0.24 0.00 0.00 -0.03 0.01 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.06 0.10 0.26 -0.06 -0.07 -0.29 -0.11 0.05 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.04 0.02 -0.00 0.03 -0.02 -0.01 0.03 -0.01 -0.00 0.03 0.01 0.03 -0.01 -0.03 0.03 0.00 -0.03 0.00 0.03 0.02 0.01 0.04 -0.04 0.01 0.06 -0.03 -0.14 -0.14 0.05 0.06 -0.11 0.08 -0.09 0.22 0.05 0.02 0.12 -0.22 0.03 0.08 0.07 -0.27 0.23 0.08 0.30 -0.27 -0.14 0.02 0.15 -0.26 -0.19 -0.05 0.27 -0.09 -0.07 -0.05 0.24 0.00 -0.02 0.00 -0.08 -0.06 0.61 0.10 0.02 -0.60 0.05 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.01 -0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.02 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.02 0.02 0.01 -0.03 0.01 0.03 0.04 -0.01 0.17 0.07 -0.02 -0.18 -0.06 -0.02 -0.04 -0.04 0.07 0.03 -0.14 0.05 0.19 0.03 -0.06 -0.05 0.08 0.01 -0.04 0.03 0.04 0.07 0.03 -0.04 0.06 -0.07 0.02 -0.24 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.03 -0.02 -0.00 -0.10 0.17 -0.06 0.11 0.35 -0.27 -0.16 -0.10 -0.08 -0.04 0.04 0.22 -0.03 0.13 0.08 -0.12 0.04 -0.09 0.19 -0.13 -0.01 0.16 -0.15 -0.00 0.02 -0.02 -0.04 -0.08 0.08 -0.35 -0.05 0.06 0.20 -0.08 0.07 0.07 0.04 0.02 0.01 0.11 0.35 0.13 -0.16 -0.05 -0.04 -0.16 -0.04 -0.06 0.02 -0.01 0.00 -0.02 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.03 0.01 0.01 -0.00 -0.01 0.00 0.02 -0.01 -0.01 -0.02 -0.00 -0.01 0.05 0.05 -0.02 0.00 0.03 -0.02 -0.03 0.00 0.01 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.09 -0.26 0.06 0.07 -0.13 0.01 0.14 0.06 0.01 -0.35 0.16 -0.01 -0.04 0.02 -0.02 0.03 0.07 -0.08 -0.03 -0.02 -0.01 -0.01 0.01 0.04 -0.01 0.02 0.02 -0.02 0.01 -0.01 0.04 -0.03 -0.00 0.03 -0.02 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.06 -0.01 0.00 0.04 -0.01 0.01 0.03 0.01 0.01 0.01 0.03 0.08 0.03 -0.03 -0.01 -0.01 -0.03 -0.01 -0.00 -0.16 0.10 0.03 0.10 -0.07 -0.01 0.08 -0.03 -0.00 0.07 0.11 0.02 -0.13 -0.10 0.01 -0.03 -0.13 -0.00 0.09 0.10 -0.01 0.10 -0.18 0.02 0.23 -0.08 -0.09 0.21 0.46 0.02 -0.19 -0.46 -0.03 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.13 0.01 -0.00 0.12 0.06 -0.00 0.69 -0.05 -0.01 -0.59 -0.00 0.00 -0.01 0.00 0.00 -0.02 0.02 0.03 0.34 0.02 -0.01 0.18 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.10 0.12 0.09 -0.00 0.03 0.14 -0.08 0.02 -0.03 0.04 -0.10 0.09 -0.07 0.09 -0.02 0.10 -0.10 -0.01 -0.12 0.15 -0.02 0.09 -0.11 0.03 0.01 -0.01 -0.09 -0.05 0.06 -0.32 -0.03 0.06 0.08 -0.06 0.06 0.02 -0.09 -0.08 -0.05 -0.16 -0.40 -0.13 0.13 0.02 0.03 0.08 -0.07 0.03 0.02 0.00 0.01 -0.04 -0.01 0.03 0.01 -0.05 -0.02 -0.05 -0.04 -0.15 0.05 -0.04 0.11 -0.00 0.04 -0.04 0.02 -0.01 0.00 0.03 0.08 0.38 0.00 0.02 0.01 0.00 0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.16 0.35 0.30 -0.01 -0.01 -0.00 0.00 -0.02 -0.00 0.01 0.02 -0.00 0.00 0.04 -0.02 -0.00 0.04 -0.03 -0.02 -0.02 0.00 0.00 -0.02 0.03 0.01 0.00 0.00 0.02 -0.02 -0.01 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.02 -0.05 -0.01 0.02 0.01 0.01 0.01 -0.01 0.01 -0.06 -0.07 0.01 0.31 0.06 -0.00 -0.08 0.30 -0.01 0.31 0.07 -0.16 -0.20 0.27 0.11 0.03 -0.22 -0.05 -0.18 -0.02 0.02 -0.06 -0.17 0.61 -0.04 -0.21 0.04 0.01 -0.04 0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.03 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.04 -0.03 -0.02 -0.01 -0.00 -0.03 0.01 -0.01 0.00 0.02 0.03 -0.03 -0.00 -0.01 0.02 -0.00 0.01 -0.02 -0.00 -0.03 0.04 -0.01 -0.00 0.01 0.03 0.02 -0.03 0.13 0.01 -0.02 -0.03 0.02 -0.02 -0.02 0.01 0.01 0.01 0.02 0.05 0.02 -0.02 -0.00 -0.00 -0.02 0.00 -0.00 0.01 0.02 0.01 -0.05 -0.01 0.04 0.01 -0.06 -0.02 -0.08 0.03 -0.21 0.01 -0.06 0.16 -0.02 0.02 -0.08 0.04 0.02 0.00 0.09 0.08 0.91 0.03 0.04 0.04 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.11 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.18 0.02 -0.15 -0.26 -0.33 0.18 -0.14 -0.17 0.01 -0.03 -0.02 0.20 0.06 -0.01 0.00 0.01 0.03 -0.04 -0.00 0.04 -0.03 -0.02 0.09 -0.04 -0.00 0.01 0.09 0.02 -0.05 0.24 0.02 -0.04 0.01 0.03 -0.04 -0.01 -0.03 -0.04 -0.03 -0.04 -0.07 -0.01 -0.01 -0.02 -0.00 -0.03 -0.06 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 0.08 -0.00 0.01 -0.06 0.00 -0.00 0.03 -0.00 -0.00 -0.00 -0.01 -0.03 -0.36 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.09 0.51 -0.35 0.01 -0.00 0.00 0.01 -0.03 0.00 -0.03 0.02 -0.01 -0.07 0.12 -0.03 0.07 0.25 -0.17 0.00 -0.03 0.04 -0.00 -0.05 0.01 0.04 -0.03 0.02 0.04 -0.06 -0.01 -0.03 0.02 -0.01 -0.01 0.02 0.01 -0.01 0.01 -0.02 0.01 -0.02 0.05 0.00 -0.02 -0.06 0.02 -0.01 -0.05 -0.01 0.01 0.00 -0.03 -0.10 -0.03 0.07 0.04 0.02 0.05 0.01 0.03 -0.12 0.08 0.00 0.02 -0.03 -0.01 0.05 -0.06 -0.00 -0.06 0.50 0.05 -0.46 -0.23 0.01 -0.12 -0.15 0.03 0.12 0.18 -0.01 -0.01 -0.22 -0.20 0.20 0.09 -0.05 0.00 -0.13 -0.00 0.09 0.09 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.05 -0.09 0.05 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.02 -0.02 0.00 -0.14 0.24 -0.08 0.16 0.51 -0.33 0.02 -0.06 0.09 -0.02 -0.10 0.01 0.11 -0.11 0.05 0.07 -0.11 -0.02 -0.04 0.02 -0.02 -0.04 0.06 -0.00 -0.02 0.02 -0.01 0.04 -0.06 0.22 0.02 -0.05 -0.17 0.06 -0.05 -0.12 0.00 0.05 0.01 -0.04 -0.14 -0.03 0.12 0.09 0.04 0.10 0.04 0.06 0.06 -0.03 -0.00 -0.04 0.02 0.00 -0.02 0.02 0.00 0.01 -0.23 0.02 0.26 0.11 -0.04 0.06 0.08 0.00 -0.05 -0.09 0.00 0.02 0.09 -0.14 -0.10 -0.03 0.01 -0.01 0.06 0.00 -0.04 -0.05 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.07 -0.23 0.03 0.38 0.27 0.05 -0.05 0.46 -0.00 -0.16 -0.34 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.04 -0.00 -0.00 -0.03 0.04 0.00 0.05 -0.00 -0.01 -0.18 -0.01 0.01 -0.01 -0.02 0.00 0.01 0.03 -0.00 -0.02 -0.03 0.01 0.04 -0.01 -0.01 -0.25 -0.01 -0.02 0.21 -0.14 0.01 0.20 0.03 0.06 -0.11 0.17 -0.01 0.09 -0.04 -0.12 0.10 -0.02 0.11 -0.09 -0.16 0.03 -0.11 0.09 0.06 -0.07 -0.17 0.04 -0.06 0.01 -0.16 -0.01 -0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.11 0.05 0.05 0.24 0.25 0.67 -0.02 -0.02 -0.05 -0.14 -0.10 -0.05 -0.03 0.04 -0.02 0.04 -0.02 0.00 -0.09 -0.19 -0.08 0.00 0.01 -0.03 0.01 -0.01 0.04 -0.01 0.01 -0.02 -0.00 0.01 0.08 -0.01 0.01 0.06 0.10 0.22 0.09 0.06 0.04 0.03 0.17 0.20 0.06 0.14 0.17 0.12 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.03 0.00 -0.09 -0.02 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.02 0.01 -0.02 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 0.28 0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.08 -0.03 -0.11 -0.26 -0.38 -0.36 -0.04 0.04 0.20 -0.04 -0.01 0.00 0.02 -0.02 -0.02 -0.01 0.04 0.00 -0.04 -0.09 -0.04 0.05 -0.03 0.29 -0.05 0.04 -0.33 0.03 -0.01 -0.15 -0.03 0.01 -0.39 0.05 0.02 -0.21 0.05 0.09 0.04 0.04 0.06 0.02 0.03 0.06 0.01 0.02 0.06 0.03 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.00 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.02 -0.02 0.03 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 0.19 -0.29 0.00 0.01 0.00 -0.00 0.02 -0.00 0.02 0.02 0.00 0.00 0.00 0.01 0.02 0.02 0.04 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.04 0.01 -0.00 -0.01 0.04 -0.00 0.07 -0.06 -0.00 -0.10 0.62 0.01 0.44 0.05 -0.04 0.02 -0.07 -0.00 -0.10 0.01 0.01 0.12 -0.10 -0.00 -0.42 0.42 0.05 -0.00 -0.01 -0.00 -0.03 -0.03 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.01 0.00 0.02 -0.00 0.00 -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.08 0.07 0.01 -0.04 -0.06 0.00 0.06 0.04 -0.01 0.03 -0.55 -0.00 0.75 0.27 -0.06 -0.01 -0.04 0.00 -0.01 0.03 0.00 0.10 -0.08 0.00 0.03 -0.01 -0.00 0.01 -0.07 -0.00 0.05 0.03 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.11 0.04 0.00 -0.06 0.02 -0.00 0.21 0.32 0.02 0.01 0.00 0.01 0.09 0.10 0.20 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.02 0.02 0.01 0.01 0.01 0.03 -0.02 -0.00 -0.02 0.05 0.02 0.02 0.00 0.03 -0.11 0.05 -0.01 0.09 -0.00 -0.02 -0.00 0.01 0.02 0.01 -0.03 -0.03 -0.01 0.00 0.02 -0.01 0.00 0.06 -0.00 -0.11 0.02 0.01 -0.06 0.04 0.00 -0.14 0.15 0.02 -0.02 0.07 0.01 0.04 -0.05 -0.00 0.05 -0.04 -0.00 0.23 -0.10 -0.02 0.41 -0.51 -0.05 0.01 -0.17 -0.00 -0.20 -0.12 -0.02 0.13 0.03 0.12 -0.05 0.04 -0.04 0.01 -0.01 -0.00 0.02 -0.01 0.02 -0.00 -0.01 0.00 -0.02 0.01 -0.00 -0.02 -0.04 -0.00 -0.03 0.00 -0.07 -0.08 -0.08 -0.17 -0.02 -0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.03 -0.00 0.01 0.01 0.01 0.23 0.28 0.50 -0.03 -0.04 -0.03 -0.02 -0.02 -0.05 -0.01 0.03 -0.01 0.01 -0.02 0.00 0.04 0.06 0.03 0.03 0.02 0.06 -0.07 -0.01 -0.04 0.14 0.05 0.09 0.02 0.08 -0.33 0.14 -0.03 0.25 -0.00 -0.07 -0.00 0.04 0.12 0.01 -0.09 -0.09 -0.03 -0.04 0.04 -0.05 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.04 0.04 0.00 -0.00 0.02 0.00 0.03 0.01 0.00 -0.03 -0.00 -0.01 0.01 0.01 0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.21 -0.24 -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 0.05 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.02 -0.05 -0.02 -0.01 0.01 0.04 0.03 -0.01 -0.09 -0.06 0.02 -0.02 -0.08 0.18 -0.07 0.02 -0.22 -0.04 -0.04 0.12 0.05 0.07 -0.30 -0.14 -0.46 -0.33 0.27 0.59 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.10 -0.13 0.01 0.01 0.20 -0.01 0.08 0.07 0.00 0.01 0.00 0.00 0.07 0.08 0.12 -0.00 -0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.03 -0.04 -0.03 0.03 0.08 0.07 -0.02 -0.20 -0.14 0.05 -0.04 -0.19 0.41 -0.15 0.03 -0.51 0.03 -0.01 -0.05 0.03 0.08 0.14 -0.01 0.14 0.12 -0.16 -0.21 -0.07 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.08 -0.00 -0.04 0.00 0.00 -0.02 -0.01 0.00 0.02 0.01 -0.00 -0.04 -0.01 0.00 0.05 -0.03 -0.01 0.04 -0.07 0.00 0.01 -0.04 -0.00 -0.12 -0.09 -0.17 -0.04 0.21 0.08 0.04 -0.03 -0.06 0.02 -0.02 0.01 -0.04 -0.09 0.01 0.01 0.01 0.01 0.03 0.06 -0.00 0.03 -0.00 0.09 -0.08 -0.05 -0.16 -0.03 -0.05 0.00 0.00 0.08 -0.00 0.03 0.04 0.00 -0.01 -0.00 -0.00 -0.11 -0.13 -0.24 0.02 0.01 0.00 0.01 0.00 0.03 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.03 0.04 0.03 -0.04 -0.08 -0.08 0.03 0.22 0.17 -0.08 0.04 0.21 -0.42 0.16 -0.04 0.55 -0.01 0.01 0.04 -0.00 -0.03 -0.12 -0.01 -0.12 -0.10 0.11 0.20 0.04 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.04 -0.00 -0.04 -0.02 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.05 0.02 0.00 -0.00 0.01 0.00 0.02 -0.04 0.00 -0.00 -0.02 -0.00 -0.04 -0.03 -0.07 -0.02 0.08 0.02 0.02 -0.01 -0.02 0.01 -0.01 0.01 -0.02 -0.03 0.00 0.00 0.00 0.01 0.01 0.02 0.00 0.01 -0.00 0.03 0.13 0.13 0.28 0.03 -0.00 -0.01 -0.02 0.01 0.01 0.00 0.13 0.00 0.00 0.00 -0.00 0.01 0.02 0.03 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 -0.01 -0.03 0.06 0.00 -0.04 -0.01 0.01 -0.01 -0.08 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.03 0.00 0.17 -0.04 -0.01 0.10 -0.09 -0.01 0.25 -0.37 -0.03 -0.18 -0.20 0.01 -0.11 0.12 0.01 -0.06 0.01 0.00 -0.51 0.22 0.03 -0.35 0.39 0.04 0.02 -0.08 -0.00 -0.03 -0.02 -0.00 0.03 -0.00 0.09 -0.03 0.02 -0.06 -0.00 -0.00 0.01 0.02 -0.00 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.04 -0.02 -0.02 -0.05 -0.15 -0.15 -0.09 0.03 0.14 0.06 0.05 -0.15 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.01 -0.02 -0.01 -0.01 0.02 -0.10 -0.00 0.05 0.04 -0.04 0.02 0.06 -0.01 0.03 -0.00 -0.05 -0.12 -0.02 0.05 0.05 0.02 0.06 0.03 0.03 0.02 -0.02 -0.00 -0.09 0.01 0.01 -0.05 0.07 0.00 -0.11 0.02 0.01 0.11 0.14 -0.01 0.02 -0.08 -0.00 0.06 0.04 -0.00 0.15 -0.13 -0.01 0.10 -0.00 -0.01 0.03 0.06 0.00 0.07 0.02 0.01 -0.27 -0.08 0.51 0.01 0.16 -0.48 -0.05 0.01 0.11 0.09 -0.02 0.12 -0.05 -0.09 0.04 0.11 -0.08 -0.10 0.06 0.13 -0.07 -0.01 0.01 -0.13 -0.03 -0.01 -0.04 -0.00 0.05 0.00 -0.04 -0.03 -0.01 0.24 -0.10 0.01 0.00 0.01 -0.00 0.00 0.01 0.02 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.02 -0.01 0.02 -0.03 -0.00 -0.01 0.03 -0.16 -0.00 0.07 0.07 -0.05 0.03 0.10 0.01 -0.01 0.00 0.03 0.06 0.02 -0.05 -0.02 -0.00 -0.04 0.01 -0.03 0.06 -0.09 -0.01 -0.06 -0.02 0.01 -0.00 0.09 -0.00 0.00 -0.51 0.00 0.15 0.16 -0.01 -0.12 -0.13 0.01 0.10 0.16 -0.01 -0.36 -0.11 0.03 -0.15 0.52 0.02 -0.03 0.10 0.00 -0.10 -0.05 -0.01 0.00 0.04 -0.03 -0.05 -0.02 0.02 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.04 0.02 0.01 -0.02 -0.05 -0.05 0.00 0.00 -0.00 0.01 0.03 -0.01 0.00 -0.07 0.05 -0.01 0.01 -0.01 0.00 -0.02 0.02 0.00 0.02 -0.02 0.12 0.01 -0.05 -0.08 0.05 -0.03 -0.05 0.13 -0.06 0.02 0.26 0.54 0.20 -0.42 -0.14 -0.01 -0.36 -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.02 0.01 -0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.14 0.21 0.31 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.03 -0.02 0.00 -0.01 -0.02 -0.01 -0.01 -0.02 0.01 0.02 0.00 -0.07 -0.00 0.00 0.02 -0.02 0.02 0.01 -0.01 0.01 -0.00 0.03 -0.02 0.00 0.05 -0.07 0.01 -0.08 0.12 0.02 0.07 -0.12 0.63 0.03 -0.26 -0.36 0.24 -0.14 -0.29 -0.04 0.02 -0.01 -0.08 -0.15 -0.04 0.12 0.05 0.01 0.12 0.00 0.07 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.02 0.00 -0.01 -0.04 0.00 0.03 0.03 -0.00 -0.01 -0.02 0.00 0.02 0.02 -0.00 -0.03 -0.02 0.01 -0.00 0.05 0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.03 0.02 0.07 0.04 0.02 0.10 0.01 -0.01 -0.03 -0.02 0.00 -0.03 -0.01 -0.01 -0.01 0.02 -0.01 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.11 0.09 0.25 -0.01 -0.02 -0.03 0.01 0.02 -0.03 -0.01 0.02 0.01 0.01 0.01 -0.01 -0.03 -0.03 -0.09 -0.00 0.00 0.05 -0.03 -0.02 -0.01 0.03 -0.03 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.05 0.07 0.00 0.07 -0.10 -0.03 -0.05 0.10 -0.54 -0.04 0.22 0.34 -0.20 0.12 0.26 0.02 -0.02 0.00 0.04 0.09 0.06 -0.08 -0.03 -0.01 0.01 0.03 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.03 -0.02 0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.00 -0.01 0.02 0.02 -0.01 -0.01 0.01 -0.02 -0.01 0.00 0.02 -0.01 0.00 -0.08 0.08 0.30 0.14 0.08 0.39 0.04 -0.02 -0.10 -0.09 0.01 -0.11 -0.03 -0.03 -0.02 0.06 -0.05 -0.06 0.01 0.01 -0.02 -0.02 0.00 -0.09 -0.01 0.06 -0.01 0.07 0.06 0.03 -0.01 0.03 0.02 0.06 0.09 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.04 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.01 -0.00 -0.04 -0.01 0.01 0.02 -0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.03 -0.04 -0.02 0.08 0.04 0.02 0.05 0.01 0.03 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.03 -0.09 -0.00 -0.06 -0.03 0.00 -0.03 0.01 0.00 0.00 -0.01 0.00 -0.09 0.02 -0.00 -0.01 0.01 -0.00 -0.13 -0.03 -0.01 0.02 -0.12 0.00 -0.16 0.48 -0.21 0.63 0.14 -0.22 -0.12 0.03 0.14 -0.09 0.00 -0.04 -0.13 -0.13 0.03 0.07 -0.07 -0.02 -0.03 -0.18 0.05 0.03 -0.03 0.09 -0.04 0.04 -0.04 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.03 0.02 0.00 0.04 0.06 0.10 -0.13 -0.15 -0.23 -0.04 0.00 0.05 0.10 0.04 -0.00 -0.01 0.02 -0.01 0.01 -0.03 0.00 -0.09 -0.02 -0.03 0.03 -0.04 -0.07 -0.01 0.02 0.06 0.01 0.01 0.09 0.03 -0.06 -0.12 0.06 -0.06 -0.07 0.04 0.03 0.03 0.04 0.02 -0.04 -0.11 -0.05 -0.03 -0.14 0.00 -0.06 -0.01 0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.05 0.00 0.02 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.02 0.00 0.04 0.01 -0.01 0.06 -0.11 -0.00 0.04 -0.05 0.00 0.07 -0.02 0.01 -0.25 0.39 0.01 -0.33 -0.04 0.03 0.06 -0.01 -0.05 0.06 -0.00 0.04 0.06 0.05 -0.01 0.10 -0.09 -0.06 -0.00 -0.10 0.02 0.03 -0.02 0.03 -0.20 -0.33 -0.45 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.06 -0.07 -0.14 0.17 0.20 0.35 0.05 -0.00 -0.06 -0.11 -0.05 0.00 0.02 -0.03 0.01 -0.01 0.03 -0.00 0.12 0.03 0.05 -0.04 0.05 0.09 0.02 -0.02 -0.06 0.00 -0.00 -0.10 -0.04 0.08 0.14 -0.07 0.07 0.10 -0.06 -0.03 -0.04 -0.07 -0.07 0.01 0.17 0.08 0.05 0.12 -0.04 0.06 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.02 0.01 0.01 0.01 -0.02 -0.00 0.02 -0.02 0.00 0.02 -0.00 0.00 -0.07 0.12 -0.02 -0.12 -0.02 -0.02 0.02 -0.00 -0.01 0.03 -0.00 0.02 0.02 0.02 -0.00 0.03 -0.03 -0.01 -0.00 -0.03 0.01 0.01 -0.01 0.02 0.27 0.36 0.59 0.01 0.01 0.00 0.02 0.02 0.00 0.16 -0.11 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -0.02 0.18 -0.00 0.11 -0.15 -0.01 0.01 -0.06 -0.00 0.05 0.32 -0.01 0.42 0.05 -0.03 -0.09 0.06 0.01 -0.09 0.03 0.01 -0.31 0.12 0.02 0.36 -0.58 -0.04 -0.04 0.05 -0.00 -0.03 -0.01 -0.00 -0.05 -0.03 -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.19 -0.22 -0.04 -0.04 -0.33 -0.01 0.01 -0.16 -0.01 0.00 -0.00 0.01 0.03 0.01 -0.07 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.01 0.02 0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.03 0.03 0.00 0.04 -0.06 -0.00 -0.01 -0.02 0.00 0.01 0.16 -0.00 0.19 0.04 -0.02 -0.01 0.04 -0.00 -0.04 0.04 0.00 0.03 0.03 0.00 0.12 -0.17 -0.01 0.15 0.12 0.02 -0.05 0.18 0.00 0.43 0.27 0.02 -0.09 0.51 -0.03 0.03 -0.04 -0.04 0.04 -0.04 0.04 -0.05 -0.11 0.01 -0.06 0.01 0.02 -0.05 -0.11 0.02 -0.03 -0.01 -0.04 -0.04 0.04 -0.02 0.01 -0.01 0.00 0.02 0.01 0.00 0.11 -0.06 0.00 -0.04 -0.02 -0.04 -0.04 0.00 0.26 0.04 -0.06 -0.12 0.17 0.08 0.08 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.09 -0.02 -0.04 -0.03 0.04 0.08 0.00 -0.00 -0.07 0.05 -0.08 0.16 -0.07 0.05 0.20 -0.02 0.08 0.16 0.04 0.05 0.03 -0.02 -0.21 -0.09 -0.18 -0.09 -0.09 -0.19 -0.07 -0.05 -0.13 0.01 0.01 0.00 0.04 -0.00 0.12 -0.02 -0.01 0.05 -0.23 -0.00 -0.20 -0.13 0.02 0.00 0.03 -0.00 -0.07 0.01 0.01 0.55 -0.10 -0.04 -0.03 -0.06 0.00 -0.03 0.02 0.00 -0.03 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.12 -0.23 0.13 0.01 -0.01 0.00 0.02 0.00 0.00 0.10 -0.05 -0.00 0.04 0.03 0.05 0.02 -0.03 -0.30 -0.02 0.03 0.07 -0.14 -0.06 -0.07 -0.01 0.00 -0.01 0.01 0.02 0.01 0.07 0.02 0.03 0.02 -0.03 -0.05 -0.00 0.00 0.04 -0.04 0.04 -0.08 0.03 -0.05 -0.10 0.03 -0.05 -0.08 -0.03 -0.04 -0.02 0.02 0.20 0.08 0.16 0.08 0.09 0.16 0.07 0.04 -0.14 -0.00 0.01 -0.02 0.06 0.00 0.15 -0.01 -0.01 0.04 -0.30 -0.00 -0.26 -0.15 0.02 0.02 0.01 -0.00 -0.08 0.02 0.01 0.61 -0.11 -0.01 -0.05 -0.04 0.00 -0.03 0.02 -0.00 -0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.11 0.19 -0.11 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.06 -0.09 -0.12 0.31 0.32 0.33 -0.02 0.07 0.15 0.07 0.04 0.05 -0.01 0.00 -0.02 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 0.03 -0.04 -0.04 0.00 -0.01 0.09 -0.09 0.16 -0.37 0.12 -0.00 -0.38 -0.03 -0.12 -0.34 0.02 0.03 0.01 -0.03 -0.18 -0.06 -0.11 -0.09 -0.10 -0.12 -0.11 -0.01 -0.02 -0.00 0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 0.00 -0.03 0.00 -0.03 -0.02 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.06 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.19 0.02 0.20 0.44 0.04 -0.18 -0.43 -0.02 -0.02 0.01 -0.00 -0.01 -0.03 0.03 0.20 0.14 -0.21 0.01 -0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.12 0.04 0.06 -0.02 0.12 0.06 -0.02 -0.02 -0.05 0.01 0.01 0.00 -0.02 -0.09 -0.01 -0.05 -0.00 -0.00 -0.03 -0.00 -0.01 -0.03 0.02 0.00 0.01 0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.03 -0.00 -0.02 -0.03 0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 0.11 -0.01 -0.01 0.03 -0.08 -0.00 0.10 0.02 0.01 0.06 -0.11 0.00 -0.29 -0.22 -0.03 -0.03 0.33 -0.00 0.01 -0.03 -0.02 0.02 -0.03 0.02 -0.03 -0.04 0.01 0.04 0.00 -0.01 0.02 0.06 -0.01 0.02 0.01 0.02 -0.14 0.23 -0.08 -0.01 -0.02 -0.00 0.01 0.02 0.00 0.00 0.00 0.00 -0.01 -0.06 0.05 0.44 0.31 -0.40 0.00 -0.02 -0.01 0.02 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.05 -0.08 0.19 -0.06 -0.01 0.18 0.04 0.05 0.19 0.01 0.02 0.01 -0.02 -0.13 -0.05 -0.08 -0.05 -0.05 -0.08 -0.05 -0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.02 -0.00 0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.29 0.51 -0.16 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.02 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.03 -0.04 0.01 0.56 0.25 0.16 -0.06 0.58 0.17 -0.10 -0.12 -0.43 -0.00 -0.00 0.00 0.01 0.05 -0.01 0.05 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.03 0.03 0.01 0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.02 0.00 0.00 -0.03 -0.01 -0.00 0.02 0.03 -0.03 -0.02 0.04 0.17 0.41 -0.55 0.62 0.03 0.00 -0.29 -0.13 -0.07 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.05 0.05 0.02 0.00 0.00 0.01 0.04 0.03 0.02 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.04 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.05 0.06 -0.00 0.00 0.01 -0.03 0.04 0.06 -0.04 0.01 -0.03 0.02 0.44 0.43 0.20 -0.23 -0.30 0.46 -0.32 0.32 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.06 -0.00 0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.04 0.02 -0.02 0.25 0.28 -0.19 -0.15 -0.36 0.42 0.62 -0.29 0.05 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.04 -0.05 -0.00 -0.06 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.01 0.12 0.09 0.00 0.00 -0.01 -0.01 0.07 0.05 0.04 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.04 -0.03 -0.02 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.05 -0.08 0.00 -0.05 -0.01 0.06 -0.04 -0.03 -0.03 -0.08 -0.04 0.03 0.28 0.17 0.05 0.41 0.49 0.26 0.57 -0.10 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.02 0.00 0.00 0.01 0.02 -0.00 0.02 0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.06 -0.01 -0.00 -0.02 0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.07 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.01 -0.07 -0.04 0.01 0.24 -0.01 0.05 0.15 0.01 0.01 0.01 -0.02 0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.03 -0.05 -0.08 0.00 -0.01 -0.07 0.12 -0.23 0.50 -0.11 0.09 0.34 -0.05 0.17 0.38 -0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 0.10 0.12 0.02 0.13 -0.04 0.04 -0.01 -0.00 -0.06 0.05 0.01 0.08 -0.02 -0.01 -0.04 -0.11 0.00 -0.08 -0.08 0.01 0.05 -0.04 -0.00 -0.07 0.05 0.01 -0.31 0.03 0.03 0.12 -0.21 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 -0.09 0.03 0.01 0.01 0.00 0.02 -0.01 0.00 0.04 -0.00 -0.00 -0.00 0.01 -0.05 -0.08 -0.03 0.17 -0.00 0.04 0.12 -0.02 -0.01 -0.01 -0.02 0.01 -0.02 0.00 0.00 0.00 0.02 0.01 0.01 0.02 -0.04 -0.06 0.01 -0.01 -0.04 0.06 -0.16 0.33 -0.06 0.10 0.17 -0.09 0.12 0.22 0.00 -0.00 0.00 -0.01 -0.08 -0.04 -0.04 0.01 0.02 -0.05 0.02 -0.03 -0.09 0.02 0.01 0.10 -0.08 -0.01 -0.13 0.03 0.01 0.07 0.18 -0.01 0.14 0.13 -0.01 -0.08 0.07 0.01 0.12 -0.09 -0.01 0.56 -0.06 -0.03 -0.22 0.37 0.02 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.07 -0.09 0.03 -0.08 0.03 -0.01 0.09 -0.04 0.01 -0.01 -0.04 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.20 0.44 -0.02 -0.03 0.14 -0.00 0.07 0.03 -0.00 0.05 -0.45 -0.00 -0.43 -0.14 0.04 -0.16 -0.16 0.02 0.02 -0.29 -0.00 -0.06 -0.22 -0.01 -0.32 0.14 0.03 -0.04 0.01 -0.00 0.02 -0.02 0.00 0.03 0.00 0.00 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.08 -0.05 0.01 0.09 -0.03 0.01 0.07 -0.04 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.23 0.08 0.01 0.08 0.31 -0.01 -0.21 -0.24 0.02 0.22 -0.28 -0.01 0.40 -0.09 -0.03 0.17 -0.08 -0.01 0.09 -0.01 -0.00 -0.58 0.07 0.03 -0.02 0.13 -0.00 -0.07 0.01 -0.00 -0.06 0.04 -0.00 -0.04 -0.01 -0.01 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.46 0.30 -0.05 0.55 -0.14 0.05 0.05 0.17 0.01 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.00 0.03 -0.01 -0.01 -0.01 -0.05 -0.00 0.01 0.00 0.01 0.03 -0.01 0.04 -0.01 -0.02 0.00 -0.03 0.01 -0.06 -0.14 0.00 -0.01 -0.04 0.00 -0.01 -0.01 0.00 -0.03 0.11 0.00 0.08 0.03 -0.01 0.05 0.04 -0.01 -0.01 0.08 0.00 -0.10 0.08 0.01 0.13 -0.10 -0.01 -0.32 -0.03 -0.03 0.20 -0.25 0.02 0.12 -0.02 0.02 -0.10 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.40 -0.22 0.05 0.41 -0.15 0.04 -0.09 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.03 0.02 0.02 -0.00 0.03 -0.01 0.08 -0.04 -0.00 -0.09 -0.16 0.01 0.11 0.15 -0.01 -0.19 0.21 0.01 -0.27 0.07 0.02 0.03 0.01 -0.00 -0.01 -0.02 -0.00 -0.27 0.07 0.03 -0.10 0.11 0.01 -0.29 0.02 -0.03 -0.23 0.21 -0.02 -0.16 -0.03 -0.02 -0.08 0.14 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.02 0.00 0.01 -0.00 -0.00 0.01 0.02 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.04 -0.03 0.00 0.06 -0.01 0.01 -0.07 0.04 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.23 -0.10 -0.01 0.09 0.16 -0.01 -0.10 -0.14 0.01 0.19 -0.23 -0.01 0.25 -0.07 -0.02 -0.19 -0.01 0.02 -0.06 0.11 0.00 0.66 -0.21 -0.05 0.27 -0.30 -0.03 -0.04 -0.00 -0.00 -0.02 0.02 -0.00 -0.02 -0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.02 0.03 0.09 0.08 0.28 -0.45 0.47 -0.21 0.17 -0.22 -0.02 0.27 -0.27 0.15 -0.10 0.15 0.02 -0.03 0.01 -0.01 0.04 -0.05 -0.02 -0.01 0.00 -0.03 0.06 -0.06 0.17 -0.07 0.05 0.12 -0.00 0.07 0.12 -0.00 -0.01 -0.00 0.01 0.07 0.02 0.04 0.01 0.02 0.05 0.02 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.00 0.02 0.00 -0.00 -0.03 -0.02 0.01 -0.00 0.01 0.00 0.20 0.06 -0.06 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.04 -0.08 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.03 -0.07 0.01 -0.07 -0.16 -0.01 -0.19 0.21 -0.12 -0.38 0.63 0.05 0.12 -0.12 0.07 0.24 -0.39 -0.03 0.05 -0.04 0.01 0.02 -0.02 0.00 -0.00 0.00 -0.01 0.02 -0.03 0.07 -0.03 0.02 0.04 -0.00 0.03 0.05 0.01 0.02 0.01 -0.03 -0.16 -0.05 -0.10 -0.02 -0.06 -0.11 -0.05 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.07 0.03 0.05 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.05 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.05 0.07 0.04 0.13 -0.00 0.04 -0.06 -0.12 0.04 -0.01 -0.04 -0.02 0.40 -0.10 0.05 -0.04 0.42 -0.39 -0.27 0.19 0.57 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.04 -0.21 0.34 0.18 0.60 -0.00 0.17 -0.27 -0.53 0.16 0.00 0.01 0.00 -0.09 0.02 -0.01 0.01 -0.09 0.09 0.06 -0.04 -0.13 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.04 0.04 -0.27 0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.76 0.21 -0.47 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.03 -0.09 -0.07 0.02 -0.02 0.06 -0.54 0.49 -0.29 0.20 0.58 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.05 0.00 -0.01 -0.01 -0.00 0.68 -0.01 0.18 0.30 0.61 -0.18 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 -0.05 -0.01 -0.63 0.67 -0.09 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.04 0.02 -0.02 -0.00 -0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.31 -0.09 0.20 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.08 -0.02 -0.43 0.69 0.36 -0.29 -0.01 -0.08 0.15 0.27 -0.08 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 0.04 -0.01 0.86 -0.23 0.12 0.02 -0.24 0.23 0.10 -0.07 -0.23 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.03 0.00 -0.02 -0.08 0.01 -0.00 0.00 0.00 0.21 0.97 -0.09 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.01 0.01 0.02 -0.06 -0.00 0.70 0.11 -0.06 -0.21 0.66 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.02 0.01 -0.02 0.07 0.00 0.68 0.11 -0.06 0.21 -0.68 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.06 -0.05 0.00 -0.00 -0.01 0.00 0.79 0.60 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 6 6 5 6 1 6 6 8 8 8 8 6 1 1 1 6 1 1 1 6 6 6 1 1 7 7 1 1 7 7 6 6 9 9 9 9 9 9 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 6 6 5 6 1 6 6 8 8 8 8 6 1 1 1 6 1 1 1 6 6 6 1 1 7 7 1 1 7 7 6 6 9 9 9 9 9 9 1 12.00000 12.00000 11.00931 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 14.00307 14.00307 1.00783 1.00783 14.00307 14.00307 12.00000 12.00000 18.99840 18.99840 18.99840 18.99840 18.99840 18.99840 1.00783 401.08558 0.99984 -0.01315 0.01219 0.01303 0.99987 0.00969 -0.01231 -0.00953 0.99988 asymmetric 1 0.01167 0.00835 0.00635 0.24317 0.17392 0.13241 710504.2 46.21 55.50 61.20 77.84 86.02 91.79 95.39 106.79 120.57 135.90 142.91 176.58 185.62 198.21 213.73 217.52 219.34 246.69 277.71 295.14 299.66 360.66 371.17 399.27 401.06 411.55 451.63 464.17 477.68 562.62 602.17 626.33 676.57 718.66 724.47 790.74 832.45 847.14 882.66 919.77 933.40 949.29 953.06 1023.04 1074.27 1079.61 1087.16 1108.45 1123.55 1135.25 1184.39 1223.12 1278.97 1336.51 1354.75 1367.10 1376.36 1405.52 1414.24 1435.95 1563.03 1565.72 1584.72 1601.84 1683.15 1685.57 1701.23 1702.11 1703.61 1713.83 1727.99 1742.95 1746.92 1754.35 1758.56 1780.95 1835.25 1842.81 1908.47 1958.56 1980.84 1996.24 2028.93 2065.43 2080.32 2110.04 2117.42 2127.97 2132.97 2141.65 2146.71 2152.04 2190.15 2243.48 2275.27 2289.66 2415.24 2624.80 2708.94 4416.15 4416.82 4462.84 4561.78 4571.71 4622.95 4624.75 4630.93 4698.13 4760.23 4787.43 5249.56 0.270617 0.296397 0.297341 0.212277 -1606.449713 -1606.423933 -1606.422989 -1606.508053 185.992 91.390 179.031 0.000 0.000 1.377 0.889 2.981 43.858 0.889 2.981 35.305 184.214 85.428 98.490 1 0.594 1.983 5.694 2 0.594 1.981 5.331 3 0.595 1.980 5.137 4 0.596 1.976 4.662 5 0.597 1.973 4.464 6 0.597 1.972 4.336 7 0.598 1.970 4.260 8 0.599 1.966 4.038 9 0.601 1.960 3.800 10 0.603 1.953 3.566 11 0.604 1.950 3.467 12 0.610 1.930 3.057 13 0.611 1.924 2.961 14 0.614 1.916 2.835 15 0.618 1.904 2.691 16 0.619 1.901 2.657 17 0.619 1.900 2.641 18 0.626 1.878 2.419 19 0.635 1.850 2.199 20 0.640 1.833 2.087 21 0.642 1.828 2.059 22 0.663 1.762 1.726 23 0.667 1.749 1.675 24 0.678 1.715 1.549 25 0.679 1.713 1.541 26 0.684 1.700 1.497 27 0.702 1.647 1.342 28 0.708 1.630 1.297 29 0.714 1.612 1.250 30 0.759 1.489 0.996 31 0.781 1.430 0.897 32 0.796 1.393 0.841 33 0.827 1.316 0.737 34 0.855 1.251 0.659 35 0.859 1.242 0.649 36 0.905 1.141 0.545 37 0.935 1.078 0.488 38 0.946 1.056 0.469 39 0.973 1.003 0.427 0.228674e-97 -97.640784 -224.826213 0.682605e+27 26.834169 61.787959 0.932087e+11 10.969457 25.258107 0.200000e+01 0.301030 0.693147 0.315725e+09 8.499309 19.570383 0.115977e+08 7.064373 16.266321 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.8417 2.5702 -0.1755 8.2540 -145.8855 -128.4337 -142.4735 -12.1521 6.5342 -1.3601 -6.9546 10.4972 -3.5426 -12.1521 6.5342 -1.3601 -33.9066 47.9300 7.8848 -68.0539 24.2614 -4.0288 25.4482 -30.9765 -15.5882 10.3993 -4744.6166 -3004.9208 -1409.8351 -182.6600 12.5084 -196.3138 3.4392 12.4841 67.5516 -1225.9260 -1098.3219 -788.7778 -28.8459 30.2929 82.3595 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -1606.7203301 0.756435 0. 0.750031 3.936E-9 6.013E-6 0.2706167 0.2963966 -1606.4239335 -1606.4229893 -1606.5080526 -6.6829802,10.2513339,-3.5683537,7.136333,4.6106151,0.3360861 C01 [X(C12H12B1F6N4O4)] 2.8961005 1.4442707 -0.2686815 -0.1655437 0.1908695 0.0177703 -0.5223549 0.0560838 0.0156041 0.1110218 -0.0159457 -0.0282085 -0.0058676 -0.7119154 0.0099719 0.1327814 -0.0231657 -0.0166815 -0.035002 -0.0345177 -0.0205159 0.5331939 0.2431608 -0.0502368 0.1684642 0.3893872 -0.0092806 -0.0888485 -0.0087192 0.2205617 -0.1344664 0.1583205 -0.1670454 0.1434863 -0.160342 0.0877404 -0.1782369 0.0596057 -0.3732232 0.0661707 -0.0544388 -0.0248882 -0.0155068 0.0418642 0.0024939 -0.0125247 0.0241749 0.0781293 0.8402343 0.4596581 0.005878 0.2415793 1.4288785 -0.492842 0.2107732 -0.2086234 1.5913365 1.5533012 -0.0701945 0.4777753 0.1219967 1.201134 -0.2086745 0.2804938 -0.2017668 0.6609127 -0.7166138 -0.2888852 -0.0448376 -0.1435961 -1.2579166 0.0789277 -0.1754121 -0.1731617 -0.6681712 -0.666292 -0.0394011 -0.0707303 -0.1937857 -0.934687 0.060798 0.0347135 0.0873817 -0.5320952 -1.2828937 0.1166066 -0.4800437 0.1008404 -0.5792292 0.1196817 -0.3326053 0.0253116 -0.5350439 -0.3613958 -0.130806 0.0501217 -0.0567316 -0.8574042 0.4424264 -0.1144036 0.5423852 -1.3748422 0.2760579 -0.0575041 0.0849931 0.0151193 0.2451485 -0.0051608 0.1081821 -0.2068797 0.8082083 0.071687 -0.0540771 0.0270575 -0.0274588 -0.0282434 0.082679 -0.0001957 0.035284 -0.0048669 -0.0801834 0.0207358 -0.0715462 -0.0322522 0.0791603 -0.0289162 0.0201676 0.0234577 -0.0215461 0.0497472 0.019144 0.0277558 0.0284895 0.0161805 -0.0663063 0.0204261 0.008072 -0.0016387 0.4917957 -0.1473896 0.159454 -0.2601311 0.330723 -0.1726281 0.1312687 -0.067716 0.3880152 -0.0366905 -0.0069289 -0.0377408 -0.0388376 0.0454248 0.0188748 0.0102335 0.0372039 0.1022577 0.0062873 -0.0214206 -0.0632497 0.0563865 -0.0239747 -0.0173581 -0.0108176 -0.0474316 0.0235613 0.0150741 0.0104704 0.0786029 0.060385 0.0341661 0.0487164 -0.0184607 0.0384573 -0.098256 0.4421995 -0.0165437 -0.0093714 0.0534018 0.4100102 0.0341222 -0.0021035 0.028642 0.1456909 0.0265662 0.12622 -0.0204611 -0.334436 0.0263636 0.0255977 0.0033818 -0.0262681 -0.0735388 -0.0986037 -0.3449182 -0.0146861 0.0648915 -0.0167879 -0.0238707 0.0088131 0.0654273 -0.0861517 0.082369 -0.0061848 0.0142742 0.0015689 0.1000561 0.0031166 0.0135919 0.00554 0.1651147 0.0964491 0.0019923 0.0127913 -0.0044679 0.0785929 0.0068791 0.0131886 0.0068483 0.1747899 -0.3468919 0.0572429 0.0051897 0.4101162 -0.6006988 -0.0406669 -0.0452102 -0.0101263 -0.1408615 -0.2242426 0.3736326 -0.0008352 -0.0461315 -0.4115591 -0.0144118 -0.0012593 -0.0832015 -0.1772874 0.2777002 -0.1536191 0.0204942 -0.1892603 0.9877583 0.0328513 0.0450598 0.0316614 0.2509661 0.2726559 -0.0641718 0.0029523 -0.0318735 0.3376181 0.0178283 0.0054142 0.0300032 0.2751433 -0.6916835 0.608113 0.011363 -0.022986 -0.3490123 0.0220712 0.045127 0.004136 -0.4207549 -0.4045213 -0.2370868 0.0237258 0.3011927 -0.7106469 -0.0115489 -0.0233759 0.0127033 -0.3827208 2.2860918 -0.0456886 -0.1142935 -0.1493028 1.5178301 0.01965 -0.0045843 0.0246591 1.591092 1.7058586 0.2357337 -0.0866729 0.2764609 1.9473857 -0.0932696 -0.1166359 -0.1150698 1.5844972 -0.4858503 -0.2048733 0.250256 -0.2235419 -0.5702136 0.1949844 0.3099886 0.2429302 -0.7558105 -0.6837169 -0.2172098 -0.2512069 -0.2261542 -0.5170717 -0.064986 -0.270816 -0.0697473 -0.532242 -0.566844 0.212008 0.0801944 0.2118777 -0.7660237 -0.0435093 0.0837042 -0.033411 -0.2925452 -0.7669538 -0.207077 0.2201446 -0.2240375 -0.5172788 0.2193381 0.1820076 0.2026347 -0.473445 -0.6561914 0.2529394 0.0854717 0.3684781 -0.7352791 -0.1543613 0.0561683 -0.1253986 -0.3187448 -0.7323305 -0.0272123 -0.192077 -0.0004162 -0.2907382 -0.0833301 -0.2896652 -0.1011502 -0.7903705 0.0143372 0.0206994 0.033685 -0.0142535 0.0765068 0.0134213 0.0264321 -0.0073845 0.0426045 202.0813059|24.5047483|189.484499|-2.3496293|-8.8093436|128.4139998 0.000004039 0.000012265 -0.000003888 0.000006648 -0.000002162 0.000002894 0.000001290 0.000000217 -0.000001682 0.000003013 0.000009032 0.000008539 0.000000019 0.000000772 -0.000004529 -0.000017914 -0.000006620 0.000011983 -0.000005062 0.000001362 -0.000002790 0.000011290 0.000000839 0.000004177 0.000000513 0.000000067 0.000001538 0.000008879 -0.000001070 -0.000008507 0.000011204 0.000001627 -0.000001007 -0.000003180 0.000000140 -0.000005678 -0.000001426 0.000000289 0.000001040 0.000000565 -0.000002243 0.000000205 -0.000002075 0.000000275 -0.000000747 -0.000007553 0.000003692 0.000001751 0.000000929 0.000001522 0.000000135 0.000003600 0.000001425 0.000000003 -0.000001193 -0.000003225 -0.000000968 0.000002226 -0.000005866 -0.000000273 0.000001445 -0.000001463 0.000001335 -0.000006110 0.000000108 0.000000027 -0.000000578 -0.000001523 -0.000000616 -0.000000506 0.000000400 0.000002601 0.000008934 0.000005975 0.000021886 0.000001493 0.000001689 0.000005357 -0.000012974 -0.000001828 -0.000035432 -0.000000814 -0.000000118 -0.000002617 -0.000004306 -0.000005263 0.000003454 -0.000009899 -0.000004609 -0.000002253 -0.000003703 -0.000000432 0.000003964 0.000010345 -0.000004647 -0.000008777 -0.000001519 0.000001436 0.000005858 -0.000003947 -0.000000257 0.000001594 0.000000533 -0.000000119 0.000002836 0.000001605 -0.000001766 0.000000804 0.000000703 0.000001222 0.000001879 0.000001867 -0.000000703 -0.000003121 0.000001616 -0.000000439 -0.000000976 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.7303,.6126,.54;-.9408,-.6306,.6125;.3601,1.0638,.5083;2.1949,-2.205,-1.4517;1.5704,-3.1026,-1.4526;2.6912,-1.9228,-.0517;1.4326,-1.0244,-2.0208;3.4062,-.9914,.2563;1.9057,.0676,-2.2041;.1845,-1.3594,-2.3218;2.3175,-2.8554,.7953;2.542,-2.5998,2.1743;2.187,-3.4873,2.708;3.6083,-2.4275,2.3754;1.9582,-1.7165,2.4703;-.6658,-.323,-2.7944;-1.6739,-.7482,-2.8251;-.6465,.5372,-2.1103;-.3525,.0086,-3.7947;1.6105,1.9782,.3148;3.6316,2.8121,-.0808;2.7655,3.8642,.0005;4.7,2.7908,-.2696;2.9315,4.9322,-.0962;2.8969,1.6737,.1216;1.5298,3.3188,.2455;3.2192,.6883,.0593;.6378,3.7964,.3384;.3421,-.3814,.6123;-.9587,1.6638,.479;-3.2285,.7246,.4069;-1.482,-2.037,.679;-2.0237,-2.3012,1.8741;-2.4363,-2.2306,-.2424;-.5312,-2.9426,.4675;-3.8668,-.1618,1.179;-3.6633,1.9357,.7357;-3.6119,.4922,-.8604;3.0792,-2.3594,-2.0887; Gaussian 16 26-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 111 C1[X(C12H12BF6N4O4)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprintgfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:-1.7303,.6126,.54;-.9408,-.6306,.6125;.3601,1.0638,.5083;2.1949,-2.205,-1.4517;1.5704,-3.1026,-1.4526;2.6912,-1.9228,-.0517;1.4326,-1.0244,-2.0208;3.4062,-.9914,.2563;1.9057,.0676,-2.2041;.1845,-1.3594,-2.3218;2.3175,-2.8554,.7953;2.542,-2.5998,2.1743;2.187,-3.4873,2.708;3.6083,-2.4275,2.3754;1.9582,-1.7165,2.4703;-.6658,-.323,-2.7944;-1.6739,-.7482,-2.8251;-.6465,.5372,-2.1103;-.3525,.0086,-3.7947;1.6105,1.9782,.3148;3.6316,2.8121,-.0808;2.7655,3.8642,.0005;4.7,2.7908,-.2696;2.9315,4.9322,-.0962;2.8969,1.6737,.1216;1.5298,3.3188,.2455;3.2192,.6883,.0593;.6378,3.7964,.3384;.3421,-.3814,.6123;-.9587,1.6638,.479;-3.2285,.7246,.4069;-1.482,-2.037,.679;-2.0237,-2.3012,1.8741;-2.4363,-2.2306,-.2424;-.5312,-2.9426,.4675;-3.8668,-.1618,1.179;-3.6633,1.9357,.7357;-3.6119,.4922,-.8604;3.0792,-2.3594,-2.0887; chk=13_a_2COMe.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 11 12 1 12 12 16 16 16 16 12 1 1 1 12 1 1 1 12 12 12 1 1 14 14 1 1 14 14 12 12 19 19 19 19 19 19 1 12.0000000 12.0000000 11.0093053 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 12.0000000 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 1.0078250 0 0 3 0 1 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 1 1 2 2 1 1 2 2 0 0 1 1 1 1 1 1 1 3.6000000 3.6000000 2.7500000 3.6000000 1.0000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 3.6000000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "13_a_2COMe.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1152 A 1005 A 1005 1581 1152 102 101 2882.1499269787 39 39 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0356878642 0.000000 1.474543 0.000000 2.138825 2.138735 0.000000 5.226222 4.070884 4.229983 0.000000 5.354296 4.084284 4.761154 1.093503 0.000000 5.131194 3.911880 3.829805 1.511963 2.147231 0.000000 4.386569 3.566845 3.450675 1.516165 2.158941 2.503759 0.000000 5.388611 4.376451 3.683133 2.420178 3.278336 1.213903 3.013500 0.000000 4.587846 4.064900 3.276959 2.411294 3.275317 3.035063 1.204121 3.070188 0.000000 3.968102 3.226073 3.729898 2.348069 2.390610 3.428447 1.326804 4.142534 2.238895 0.000000 5.336475 3.949699 4.390176 2.342543 2.381709 1.314100 3.473716 2.224918 4.208362 4.062570 0.000000 5.589580 4.294997 4.577933 3.663968 3.788302 2.331478 4.616489 2.648150 5.166268 5.226024 1.420308 0.000000 6.070831 4.726001 5.374746 4.352946 4.223612 3.212174 5.384909 3.705017 6.070045 5.816968 2.018591 1.094780 0.000000 6.411902 5.199186 5.121092 4.085881 4.388900 2.643237 5.101913 2.567901 5.486005 5.909906 2.084655 1.098721 1.803885 0.000000 4.770316 3.610364 3.759368 3.959378 4.178544 2.634455 4.574410 2.743066 5.003553 5.122227 2.057060 1.099343 1.801219 1.799313 0.000000 3.623109 3.431745 3.726081 3.678071 3.811495 4.620783 2.343870 5.131699 2.667216 1.421471 5.310359 6.337347 6.959021 7.030236 6.045150 0.000000 3.630353 3.516843 4.304935 4.356072 4.236997 5.303350 3.220749 5.946486 3.723563 2.020033 5.786133 6.796768 7.281779 7.600460 6.493864 1.094492 0.000000 2.864429 2.977278 2.854486 4.003338 4.312266 4.629279 2.601761 4.935733 2.596765 2.081443 5.360832 6.193996 6.887816 6.856755 5.731112 1.099196 1.794105 0.000000 4.588432 4.492021 4.487514 4.108352 4.343135 5.196620 2.720345 5.615869 2.762834 2.080688 6.033285 7.128208 7.807447 7.726149 6.896773 1.099483 1.805280 1.789716 0.000000 3.616148 3.661083 1.561094 4.578298 5.379556 4.064499 3.808152 3.470755 3.175233 4.485993 4.908593 5.028236 5.994252 5.258084 4.291598 4.488203 5.298998 3.612702 4.961937 0.000000 5.828680 5.765414 3.755844 5.395820 6.412058 4.827505 4.828875 3.825049 3.875466 5.857100 5.883454 5.963327 7.038943 5.786790 5.460488 5.971642 6.953817 5.253228 6.125867 2.221902 0.000000 5.574669 5.857930 3.726482 6.266567 7.216426 5.787784 5.455347 4.904381 4.473644 6.272197 6.781310 6.823434 7.855608 6.777667 6.156052 6.092479 6.997653 5.212147 6.244324 2.233879 1.365156 0.000000 6.837329 6.656047 4.735222 5.712354 6.776905 5.128458 5.319612 4.031826 4.354968 6.467200 6.220130 6.299871 7.388924 5.951371 5.944823 6.697931 7.725383 6.087020 6.759789 3.247603 1.085149 2.228732 0.000000 6.387189 6.814828 4.684256 7.301966 8.261359 6.859347 6.436699 5.952978 5.399899 7.216812 7.862447 7.876381 8.905354 7.793061 7.193033 6.916474 7.805349 6.014516 6.978910 3.261931 2.232700 1.085063 2.782586 0.000000 4.765749 4.503218 2.637586 4.244081 5.201036 3.606568 3.743480 2.716642 2.995086 4.746203 4.615449 4.754193 5.816310 4.733471 4.229814 5.018234 5.953213 4.339207 5.354310 1.336006 1.369931 2.197820 2.156870 3.265921 0.000000 4.247188 4.672943 2.553895 5.816746 6.642233 5.376940 4.899847 4.700861 4.087989 5.503254 6.248451 6.306659 7.267606 6.471182 5.521533 5.227260 6.019385 4.245402 5.551934 1.344804 2.186451 1.372786 3.254823 2.164394 2.142539 0.000000 4.973410 4.399015 2.918372 3.421045 4.401758 2.666291 3.232980 1.701503 2.689484 4.367119 3.729962 3.967801 5.051418 3.901802 3.631293 4.925418 5.858811 4.435513 5.298358 2.077736 2.168004 3.208712 2.592581 4.256436 1.038627 3.131760 0.000000 3.973032 4.708035 2.751976 6.453330 7.188442 6.089212 5.425616 5.531152 4.687800 5.819266 6.875829 6.921562 7.814568 7.191024 6.056489 5.336928 6.000420 4.274079 5.693031 2.062208 3.179230 2.155489 4.228751 2.596180 3.107499 1.016139 4.049926 0.000000 2.299632 1.306861 1.449042 3.319415 3.630070 2.887116 2.921665 3.144442 3.252527 3.096827 3.171202 3.492924 4.176353 4.238312 2.801100 3.553164 4.001823 3.038776 4.478486 2.695400 4.636834 4.926806 5.461917 5.953302 3.315364 3.903444 3.118992 4.197250 0.000000 1.305394 2.298323 1.449173 5.351596 5.731093 5.144618 4.381009 5.113822 4.236901 4.276767 5.590755 5.771186 6.434048 6.418126 4.888714 3.840293 4.152875 2.840985 4.622966 2.593525 4.764728 4.352102 5.818161 5.113415 3.872118 2.997701 4.310713 2.667692 2.427457 0.000000 1.508255 2.666916 3.606083 6.438180 6.413641 6.500986 5.538848 6.854667 5.797383 4.841276 6.612582 6.890146 7.236210 7.781602 6.092478 4.232386 3.877139 3.610905 5.141811 4.999609 7.187287 6.778755 8.221217 7.476854 6.205099 5.421986 6.457201 4.938536 3.743618 2.457548 0.000000 2.664903 1.508393 3.610713 4.252920 3.872457 4.238236 4.099892 5.016567 4.921198 3.498751 3.888406 4.329559 4.436393 5.379736 3.891777 3.958308 3.738507 3.886523 5.047223 5.081111 7.088016 7.302507 7.900918 8.285501 5.766690 6.159816 5.469229 6.215964 2.464246 3.742943 3.278862 0.000000 3.218109 2.356959 4.344063 5.372820 4.962552 5.107144 5.361631 5.815220 6.138711 4.834194 4.507508 4.585312 4.453345 5.655731 4.068486 5.249009 4.961545 5.082256 6.345410 5.826820 7.870840 8.028703 8.702436 8.986556 6.563818 6.845727 6.302295 6.828082 3.297650 4.336071 3.572046 1.338532 0.000000 3.032288 2.351041 4.385967 4.786560 4.275359 5.140339 4.425648 5.993260 5.289958 3.457167 4.905790 5.546232 5.626676 6.590127 5.189845 3.645024 3.073938 3.788611 4.687802 5.865245 7.891456 8.016588 8.725972 8.952135 6.619636 6.838433 6.371517 6.790610 3.445221 4.227301 3.127680 1.340617 2.157548 0.000000 3.752741 2.352475 4.104510 3.414506 2.851107 3.419570 3.705098 4.399378 4.705038 3.286200 2.868858 3.532021 3.564423 4.587045 3.422150 4.185731 4.118523 4.332173 5.187306 5.368805 7.123629 7.577572 7.796189 8.620913 5.760352 6.595590 5.235979 6.840862 2.709815 4.626176 4.552767 1.329975 2.148902 2.154192 0.000000 2.360638 3.016991 4.451845 6.916603 6.718392 6.901016 6.250336 7.378077 6.694802 5.486664 6.756415 6.928733 7.074268 7.902070 6.165631 5.104902 4.602812 4.656067 6.092432 5.943678 8.164415 7.847691 9.176422 8.590257 7.087686 6.489206 7.224141 6.055211 4.252543 3.504298 1.337618 3.074726 2.908112 2.889059 4.400640 0.000000 2.350555 3.743409 4.123092 7.499881 7.587146 7.475857 6.506039 7.666483 6.568569 5.917083 7.663479 7.819590 8.217344 8.637294 6.924482 5.152466 4.882709 4.376848 5.932969 5.290710 7.392566 6.751995 8.466761 7.291252 6.594080 5.396442 7.027245 4.703094 4.628967 2.730350 1.328151 4.532557 4.683543 4.452024 5.803465 2.153515 0.000000 2.348616 3.250358 4.239948 6.429875 6.334813 6.798245 5.393856 7.259571 5.694754 4.469600 7.007616 7.525994 7.886532 8.433691 6.855482 3.617213 3.025712 3.218399 4.412276 5.555400 7.645787 7.265206 8.644074 7.944398 6.687656 5.970745 6.895530 5.514916 4.308845 3.194695 1.344255 3.647386 4.219374 3.029485 4.801287 2.156820 2.152625 0.000000 6.235009 5.142552 5.084896 1.100756 1.798230 2.119051 2.120939 2.734432 2.698319 3.071418 3.023878 4.303445 5.007677 4.495855 4.738577 4.320950 5.072495 4.719321 4.504972 5.171899 5.575073 6.572422 5.697432 7.560333 4.602654 6.331723 3.731219 7.053033 4.324344 6.251682 7.451643 5.344956 6.461234 5.817803 4.461977 7.984671 8.478616 7.376451 0.000000 C12H12BF6N4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 388.9542191999998 AuxInfo=1/0/N:21,22,1,2,20,31,32,3,36,37,38,33,34,35,25,26,30,29;12,16,4,6,7,8,9,11,10/E:(1,2)(3,4)(6,7)(9,10,11,12,13,14)(15,16)(17,18);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,17.2,18.2;4.3,5.3,6.1,7.1/rA:39nC3C3BCHC3C3O1O1OOCHHHCHHHC3C3C3HHNNHHN2N2CCFFFFFFH/rB:s1;;;s4;s4;s4;s6;s7;s7;s6;s11;s12;s12;s12;s10;s16;s16;s16;s3;;s21;s21;s22;s20s21;s20s22;s25;s26;s2s3;s1s3;s1;s2;s32;s32;s32;s31;s31;s31;s4;/rC:1.7345,1.0673,-.4308;1.1414,-.2809,-.5013;-.3924,1.2058,-.6083;-1.9188,-2.2095,1.3663;-1.1753,-3.0042,1.473;-2.3151,-2.065,-.0857;-1.3908,-.9056,1.9319;-3.1233,-1.2636,-.5077;-2.0305,.1115,2.0104;-.142,-1.0393,2.3597;-1.7331,-2.9682,-.8422;-1.8596,-2.8088,-2.2479;-1.3322,-3.6566,-2.697;-2.9157,-2.8048,-2.5512;-1.3826,-1.8628,-2.5413;.5026,.1309,2.8453;1.5536,-.1392,2.9885;.4256,.9482,2.1143;.0514,.4558,3.7938;-1.7734,1.9331,-.5775;-3.9213,2.476,-.4089;-3.2109,3.6399,-.4736;-4.9888,2.3054,-.3136;-3.5363,4.6748,-.4528;-3.0155,1.4508,-.4809;-1.8922,3.2727,-.5779;-3.1981,.4323,-.3911;-1.0729,3.8723,-.6192;-.1581,-.2241,-.6278;.8182,1.9946,-.4976;3.1818,1.4048,-.1734;1.8819,-1.5936,-.4399;2.567,-1.8266,-1.5659;2.7622,-1.6038,.5712;1.0546,-2.6195,-.2613;4.0107,.5896,-.8348;3.4681,2.6514,-.5312;3.4722,1.2871,1.1339;-2.8285,-2.4649,1.931; 0.2431684 0.1739192 0.1324141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1139 1139 1139 1139 1139 MxSgAt= 39 MxSgA2= 39. 1 open 1 1 1 -1607.75069609849 -1607.94912540393 -0.198429305437 -1608.55944407688 -0.610318672945 -1608.56082630109 -0.001382224213 -1608.56086583021 -0.000039529117 -1608.56089586389 -0.000030033683 -1608.56089741519 -0.000001551304 -1608.56089796067 -0.000000545472 -1608.56089809083 -0.000000130165 -1608.56089815483 -0.000000063996 -1608.56089816709 -0.000000012267 -1608.56089816985 -0.000000002752 -1608.56089817033 -0.000000000478 -1608.56089817052 -0.000000000196 -1608.56089817059 -0.000000000067 -1608.56089817070 -0.000000000115 -1608.56089817 16 0.7568 1.602054901613e+03 -9.554702891567e+03 3.461972852669e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570185410 LenY= 1568857154 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7568 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C B C H C C O O O O C H H H C H H H C C C H H N N H H N N C C F F F F F F H 13 13 11 13 1 13 13 17 17 17 17 13 1 1 1 13 1 1 1 13 13 13 1 1 14 14 1 1 14 14 13 13 19 19 19 19 19 19 1 0.00483 0.00582 0.00948 0.00045 0.00000 -0.00009 -0.00025 -0.00059 0.00287 -0.00059 -0.00010 0.00015 0.00001 -0.00000 0.00000 0.00003 0.00020 0.00000 0.00005 -0.02022 -0.00149 -0.00122 -0.00027 -0.00031 0.00639 0.00727 -0.00075 -0.00082 -0.00860 -0.00818 -0.01312 -0.01349 0.01261 0.00852 -0.00057 0.00571 0.00003 0.01220 -0.00003 5.42964 6.54175 13.60294 0.50904 0.00414 -0.10194 -0.27878 0.35790 -1.74173 0.35841 0.05973 0.16965 0.02759 -0.01327 0.01006 0.03061 0.88940 0.00458 0.23788 -22.73135 -1.67902 -1.36725 -1.21227 -1.38006 2.06538 2.34955 -3.34390 -3.65152 -2.77781 -2.64142 -14.75160 -15.15995 53.07442 35.86245 -2.41603 24.00732 0.12345 51.32876 -0.15244 1.93743 2.33426 4.85387 0.18164 0.00148 -0.03638 -0.09948 0.12771 -0.62149 0.12789 0.02131 0.06053 0.00985 -0.00474 0.00359 0.01092 0.31736 0.00163 0.08488 -8.11111 -0.59912 -0.48787 -0.43257 -0.49244 0.73698 0.83838 -1.19319 -1.30295 -0.99119 -0.94252 -5.26374 -5.40945 18.93827 12.79661 -0.86210 8.56641 0.04405 18.31538 -0.05440 1.81113 2.18209 4.53745 0.16980 0.00138 -0.03401 -0.09299 0.11938 -0.58098 0.11955 0.01992 0.05659 0.00920 -0.00443 0.00336 0.01021 0.29667 0.00153 0.07935 -7.58236 -0.56006 -0.45607 -0.40437 -0.46034 0.68894 0.78373 -1.11541 -1.21802 -0.92658 -0.88108 -4.92060 -5.05682 17.70372 11.96242 -0.80590 8.00798 0.04118 17.12143 -0.05085 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.141064 -0.159776 -0.103942 -0.000256 -0.000544 0.000590 -0.000048 0.001477 0.002917 0.000212 -0.000368 -0.000307 -0.000447 0.000152 -0.000572 -0.001966 -0.001819 -0.003333 -0.001243 0.025953 -0.006728 -0.009117 0.002772 -0.001090 -0.051747 -0.058741 0.000086 0.001376 -0.059766 -0.071020 0.001650 -0.006233 0.001819 0.024128 -0.004985 0.034259 -0.006000 0.048043 0.000099 -0.155420 -0.156021 -0.103430 0.001275 0.001224 0.001263 0.000460 -0.000049 -0.009108 0.000153 0.001715 0.001313 0.000939 0.000397 0.001272 -0.002757 -0.002368 -0.005080 -0.001580 0.019017 -0.008946 -0.010008 -0.001722 0.002176 -0.059310 -0.059467 0.003222 0.002624 -0.073000 -0.060727 -0.003042 0.004598 0.033938 0.005478 0.001677 -0.021373 0.005424 -0.035143 0.000290 0.296483 0.315797 0.207372 -0.001019 -0.000680 -0.001853 -0.000412 -0.001428 0.006190 -0.000366 -0.001347 -0.001006 -0.000492 -0.000549 -0.000700 0.004723 0.004187 0.008413 0.002823 -0.044970 0.015674 0.019126 -0.001051 -0.001085 0.111056 0.118208 -0.003307 -0.004001 0.132766 0.131748 0.001392 0.001634 -0.035758 -0.029606 0.003307 -0.012886 0.000576 -0.012900 -0.000389 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.005188 -0.002006 0.000709 0.001720 0.001087 0.002447 0.000946 0.001987 0.012296 0.000478 0.001600 0.001552 0.000735 0.001001 0.001974 -0.001058 -0.000356 -0.001329 -0.000113 -0.002324 -0.000863 -0.001515 0.000341 -0.001806 -0.000508 -0.003617 0.002422 0.002033 0.006554 -0.004228 0.005233 -0.001953 -0.057233 -0.044905 0.003192 -0.013181 0.006679 0.023742 0.000971 -0.068478 -0.049151 -0.007696 -0.001002 -0.000629 -0.000404 -0.001867 0.000140 -0.020725 -0.001377 0.000163 0.000622 0.000378 0.000564 0.001499 -0.000176 0.000920 -0.000290 -0.000504 -0.005223 0.002163 0.000501 -0.000326 -0.000018 0.019107 0.009199 0.000047 -0.000024 -0.021658 -0.035347 -0.000415 -0.000588 -0.015927 0.001957 0.000940 0.023137 0.004663 0.051823 -0.000734 -0.006911 0.003969 -0.013679 -0.001277 -0.001294 -0.000389 -0.002205 -0.000098 -0.013696 -0.001880 0.000221 0.000943 0.000880 0.000653 0.002262 -0.001948 -0.001345 0.000479 -0.000288 0.000068 0.000543 0.000004 -0.000062 0.000052 0.006295 0.003734 -0.000406 -0.000187 0.012901 -0.003114 0.000308 -0.000878 0.021666 -0.001919 0.006718 -0.005256 0.008939 0.013684 -0.000789 -0.5246 0.8488 -0.0661 0.8378 0.5285 0.137 -0.1512 -0.0165 0.9884 -0.1581 -0.149 0.3071 -21.214 -19.993 41.207 -7.57 -7.134 14.704 -7.076 -6.669 13.745 1 C 13 0.9799 0.1736 0.0987 -0.1719 0.9848 -0.0262 -0.1018 0.0087 0.9948 -0.1651 -0.1558 0.3209 -22.153 -20.904 43.056 -7.905 -7.459 15.364 -7.389 -6.973 14.362 2 C 13 0.7534 -0.6575 -0.0102 0.6571 0.7522 0.0493 -0.0247 -0.0439 0.9987 -0.1045 -0.1037 0.2082 -17.885 -17.756 35.641 -6.382 -6.336 12.718 -5.966 -5.923 11.888 3 B 11 0.4916 0.0872 0.8664 0.7014 -0.6293 -0.3347 0.516 0.7723 -0.3705 -0.0017 -0.0013 0.003 -0.23 -0.177 0.408 -0.082 -0.063 0.145 -0.077 -0.059 0.136 4 C 13 0.2164 0.3639 0.9059 0.8946 -0.4454 -0.0348 0.3909 0.818 -0.422 -0.0013 -0.0011 0.0024 -0.72 -0.566 1.286 -0.257 -0.202 0.459 -0.24 -0.189 0.429 5 H 1 0.1648 -0.0062 0.9863 0.738 -0.6626 -0.1275 0.6543 0.7489 -0.1046 -0.0019 -0.0015 0.0035 -0.257 -0.206 0.464 -0.092 -0.074 0.165 -0.086 -0.069 0.155 6 C 13 0.4152 0.4424 0.7949 0.7599 -0.649 -0.0357 0.5002 0.6189 -0.6056 -0.0026 -8.0E-4 0.0034 -0.351 -0.103 0.454 -0.125 -0.037 0.162 -0.117 -0.034 0.151 7 C 13 -0.3993 0.5637 0.723 0.4012 -0.6017 0.6907 0.8244 0.5659 0.0141 -0.0016 -0.0013 0.0028 0.114 0.091 -0.206 0.041 0.033 -0.073 0.038 0.03 -0.069 8 O 17 -0.0729 0.8871 0.4557 0.7803 -0.2338 0.58 -0.6211 -0.3979 0.6752 -0.0172 -0.0162 0.0333 1.241 1.17 -2.411 0.443 0.418 -0.86 0.414 0.39 -0.804 9 O 17 0.3281 0.5397 0.7753 0.8027 -0.592 0.0725 -0.4981 -0.5985 0.6274 -0.0023 -3.0E-4 0.0025 0.163 0.019 -0.182 0.058 0.007 -0.065 0.054 0.006 -0.061 10 O 17 -0.2625 0.0672 0.9626 0.8392 -0.4764 0.2621 0.4762 0.8766 0.0687 -0.0014 -0.0012 0.0026 0.1 0.089 -0.188 0.036 0.032 -0.067 0.033 0.03 -0.063 11 O 17 -0.4176 -0.0765 0.9054 0.7603 -0.5751 0.3021 0.4976 0.8145 0.2983 -0.0014 -0.0012 0.0026 -0.184 -0.166 0.35 -0.066 -0.059 0.125 -0.061 -0.055 0.117 12 C 13 -0.1505 -0.3748 0.9148 0.9199 -0.3921 -0.0093 0.3622 0.8401 0.4038 -9.0E-4 -8.0E-4 0.0017 -0.488 -0.408 0.896 -0.174 -0.145 0.32 -0.163 -0.136 0.299 13 H 1 -0.198 -0.3162 0.9278 0.7634 -0.6435 -0.0564 0.6149 0.6971 0.3688 -9.0E-4 -7.0E-4 0.0016 -0.476 -0.392 0.867 -0.17 -0.14 0.309 -0.159 -0.131 0.289 14 H 1 -0.3509 -0.3591 0.8649 0.8097 -0.5802 0.0876 0.4704 0.731 0.4943 -0.0022 -0.0018 0.0041 -1.199 -0.973 2.172 -0.428 -0.347 0.775 -0.4 -0.325 0.725 15 H 1 0.495 0.845 0.2023 0.8688 -0.4783 -0.1281 0.0115 -0.2392 0.9709 -0.0038 -0.0014 0.0052 -0.516 -0.182 0.698 -0.184 -0.065 0.249 -0.172 -0.061 0.233 16 C 13 0.2305 0.9603 0.1574 0.9615 -0.1999 -0.1887 0.1497 -0.1948 0.9693 -0.0027 -0.0019 0.0046 -1.427 -1.028 2.454 -0.509 -0.367 0.876 -0.476 -0.343 0.819 17 H 1 0.4718 0.8815 -0.0201 0.8812 -0.4707 0.0435 -0.0289 0.0383 0.9988 -0.0058 -0.0026 0.0084 -3.096 -1.407 4.503 -1.105 -0.502 1.607 -1.033 -0.469 1.502 18 H 1 0.3743 0.9218 0.1013 0.9197 -0.383 0.087 -0.1189 -0.0606 0.991 -0.0017 -0.0012 0.0029 -0.884 -0.663 1.548 -0.316 -0.237 0.552 -0.295 -0.221 0.516 19 H 1 0.0731 0.0016 0.9973 0.2782 0.9603 -0.0219 0.9577 -0.279 -0.0698 -0.0454 0.0183 0.027 -6.086 2.461 3.625 -2.172 0.878 1.293 -2.03 0.821 1.209 20 C 13 0.3556 0.9333 -0.0511 0.9299 -0.3587 -0.0816 0.0945 0.0185 0.9954 -0.0093 -0.0066 0.0159 -1.249 -0.884 2.132 -0.446 -0.315 0.761 -0.416 -0.295 0.711 21 C 13 0.6002 0.7998 -0.01 0.7997 -0.6002 -0.0147 0.0178 -8.0E-4 0.9998 -0.0111 -0.008 0.0191 -1.496 -1.072 2.568 -0.534 -0.383 0.916 -0.499 -0.358 0.856 22 C 13 -0.0712 0.9959 0.0553 0.0885 -0.0489 0.9949 0.9935 0.0757 -0.0846 -0.0017 -0.0011 0.0028 -0.933 -0.575 1.508 -0.333 -0.205 0.538 -0.311 -0.192 0.503 23 H 1 0.9139 0.4059 -0.0057 0.0107 -0.0101 0.9999 -0.4058 0.9139 0.0136 -0.0019 -0.0011 0.003 -1.01 -0.579 1.589 -0.36 -0.207 0.567 -0.337 -0.193 0.53 24 H 1 0.2007 0.9779 -0.0585 0.9729 -0.206 -0.105 0.1147 0.0358 0.9928 -0.0598 -0.0537 0.1135 -2.306 -2.071 4.377 -0.823 -0.739 1.562 -0.769 -0.691 1.46 25 N 14 0.6905 0.7216 -0.0499 0.7215 -0.692 -0.0233 0.0513 0.0199 0.9985 -0.0632 -0.0556 0.1188 -2.437 -2.143 4.58 -0.87 -0.765 1.634 -0.813 -0.715 1.528 26 N 14 -0.077 0.0897 0.993 0.8762 -0.4692 0.1103 0.4758 0.8785 -0.0425 -0.0033 -0.0012 0.0046 -1.786 -0.643 2.429 -0.637 -0.229 0.867 -0.596 -0.215 0.81 27 H 1 -0.007 0.0303 0.9995 0.8045 -0.5935 0.0237 0.5939 0.8043 -0.0202 -0.004 -1.0E-4 0.0041 -2.137 -0.067 2.204 -0.763 -0.024 0.786 -0.713 -0.022 0.735 28 H 1 -0.4454 0.8897 -0.1004 0.8888 0.4529 0.0702 -0.1079 0.0579 0.9925 -0.0777 -0.0581 0.1359 -2.998 -2.242 5.24 -1.07 -0.8 1.87 -1.0 -0.748 1.748 29 N 14 0.9519 0.2587 0.1641 -0.257 0.9659 -0.0318 -0.1667 -0.0119 0.9859 -0.0783 -0.0595 0.1378 -3.018 -2.295 5.313 -1.077 -0.819 1.896 -1.007 -0.765 1.772 30 N 14 -0.5433 0.8373 -0.0615 0.0083 0.0786 0.9969 0.8395 0.5411 -0.0497 -0.0065 0.0014 0.005 -0.867 0.19 0.677 -0.309 0.068 0.242 -0.289 0.063 0.226 31 C 13 0.9802 0.1773 0.0885 -0.1238 0.1993 0.9721 -0.1547 0.9638 -0.2173 -0.0066 0.0015 0.0051 -0.891 0.205 0.686 -0.318 0.073 0.245 -0.297 0.068 0.229 32 C 13 -0.3572 -0.4946 0.7923 0.7251 0.3878 0.569 -0.5887 0.7778 0.2201 -0.0421 -0.0413 0.0834 -21.145 -20.736 41.881 -7.545 -7.399 14.944 -7.053 -6.917 13.97 33 F 19 0.6172 0.7668 0.1762 -0.1343 -0.118 0.9839 0.7753 -0.6309 0.0302 -0.0311 -0.0296 0.0607 -15.622 -14.888 30.509 -5.574 -5.312 10.886 -5.211 -4.966 10.177 34 F 19 0.8052 -0.5251 0.2757 -0.5618 -0.5264 0.6382 0.19 0.6687 0.7188 -0.0067 -0.0031 0.0098 -3.387 -1.537 4.925 -1.209 -0.549 1.757 -1.13 -0.513 1.643 35 F 19 0.2112 0.9772 0.0219 -0.3661 0.0583 0.9287 0.9063 -0.2041 0.3701 -0.0243 -0.0223 0.0467 -12.224 -11.218 23.442 -4.362 -4.003 8.365 -4.077 -3.742 7.819 36 F 19 0.9285 -0.3501 -0.1236 -0.105 -0.5669 0.8171 0.3561 0.7457 0.5631 -0.0091 -0.0062 0.0154 -4.589 -3.126 7.715 -1.638 -1.115 2.753 -1.531 -1.043 2.574 37 F 19 -0.4801 -0.0757 0.874 -0.2325 0.9716 -0.0436 0.8458 0.2242 0.4841 -0.0426 -0.0414 0.084 -21.371 -20.812 42.183 -7.626 -7.426 15.052 -7.129 -6.942 14.071 38 F 19 PT28104S 2024-09-26T02:26:30.000 -24.82735 -24.82698 -24.82545 -24.82457 -24.82354 -24.82306 -19.31133 -19.30411 -19.25308 -19.24166 -14.53579 -14.52116 -14.39994 -14.39793 -10.52217 -10.51948 -10.44016 -10.42752 -10.37940 -10.36575 -10.36283 -10.34158 -10.33591 -10.33524 -10.33340 -10.31915 -6.84212 -1.41146 -1.40765 -1.31984 -1.31767 -1.31624 -1.31444 -1.23572 -1.22340 -1.18469 -1.14041 -1.12986 -1.05335 -1.04624 -0.94882 -0.90641 -0.90496 -0.84553 -0.84305 -0.80933 -0.80508 -0.78392 -0.75589 -0.74883 -0.70526 -0.70130 -0.68512 -0.68163 -0.67685 -0.67362 -0.67182 -0.66354 -0.64286 -0.63009 -0.62029 -0.61434 -0.59770 -0.59320 -0.58739 -0.58046 -0.57720 -0.57545 -0.56844 -0.55675 -0.55412 -0.55247 -0.55023 -0.54549 -0.54212 -0.52366 -0.52160 -0.51897 -0.51654 -0.50738 -0.50489 -0.50436 -0.50029 -0.48851 -0.48544 -0.48333 -0.48044 -0.46759 -0.45749 -0.45293 -0.45052 -0.44513 -0.44137 -0.40472 -0.39854 -0.38902 -0.37289 -0.37154 -0.36418 -0.36238 -0.33901 -0.26144 0.02608 0.05374 0.06178 0.07909 0.08987 0.09700 0.11960 0.12750 0.13503 0.14002 0.14397 0.15336 0.16077 0.17064 0.17128 0.18042 0.18529 0.18894 0.19184 0.19582 0.20364 0.21084 0.21373 0.22248 0.22852 0.22914 0.23623 0.24047 0.24590 0.24814 0.25158 0.25866 0.26561 0.27088 0.27353 0.27942 0.28556 0.28983 0.29487 0.29876 0.30887 0.31527 0.31811 0.32556 0.32662 0.33566 0.33763 0.33990 0.35014 0.35136 0.35605 0.35905 0.36556 0.36672 0.37074 0.37562 0.38063 0.38671 0.39171 0.39679 0.40328 0.40954 0.41116 0.41403 0.42075 0.42387 0.42914 0.43116 0.43274 0.43975 0.44170 0.44763 0.45011 0.45466 0.45751 0.46830 0.47012 0.47590 0.47969 0.48026 0.48860 0.49102 0.49330 0.49983 0.50332 0.50848 0.51585 0.52056 0.52713 0.52890 0.53295 0.53534 0.53966 0.54633 0.54809 0.55935 0.56538 0.57162 0.57802 0.58326 0.58807 0.59193 0.60144 0.60560 0.60953 0.61281 0.62077 0.62118 0.62489 0.62869 0.63784 0.64255 0.64525 0.65284 0.65471 0.66904 0.67378 0.67554 0.68103 0.69054 0.69488 0.70019 0.70640 0.71577 0.71730 0.71994 0.72701 0.73489 0.74525 0.74710 0.74972 0.75547 0.76123 0.76975 0.77434 0.78025 0.78710 0.79191 0.79812 0.80464 0.80834 0.81909 0.82337 0.82719 0.84037 0.84599 0.84957 0.85713 0.86404 0.86763 0.87184 0.88317 0.88524 0.89130 0.89628 0.90042 0.90505 0.91163 0.91813 0.92585 0.93133 0.93771 0.93939 0.95155 0.96100 0.96436 0.96667 0.96778 0.97018 0.98067 0.98437 0.98859 0.99319 0.99551 1.00393 1.00889 1.01274 1.01839 1.02215 1.03003 1.03444 1.03622 1.03978 1.04610 1.05800 1.07009 1.07438 1.08293 1.08808 1.08937 1.09156 1.09535 1.10543 1.10930 1.11671 1.11898 1.12296 1.12712 1.13582 1.14176 1.14655 1.15811 1.16121 1.16453 1.17487 1.17904 1.18648 1.19567 1.20211 1.20907 1.21348 1.22005 1.22727 1.23131 1.23692 1.24198 1.25283 1.25802 1.26567 1.27689 1.28435 1.29161 1.29224 1.30112 1.30636 1.31652 1.32401 1.33428 1.33873 1.34618 1.35436 1.36417 1.36677 1.37068 1.37906 1.38788 1.39469 1.40164 1.40607 1.41615 1.42316 1.43115 1.43673 1.44121 1.45345 1.45804 1.46036 1.46557 1.47249 1.48185 1.49210 1.50300 1.50660 1.50993 1.51686 1.53219 1.54086 1.54375 1.54923 1.55367 1.55895 1.56337 1.56922 1.58028 1.58941 1.59741 1.60742 1.61319 1.61858 1.63528 1.63885 1.64120 1.64573 1.65113 1.66321 1.67678 1.68652 1.68818 1.70146 1.70571 1.70765 1.71664 1.72005 1.73197 1.74366 1.74689 1.75668 1.76580 1.77422 1.78355 1.79323 1.79773 1.80497 1.81177 1.81722 1.83085 1.83736 1.85150 1.86075 1.86860 1.87983 1.88704 1.89452 1.89692 1.90843 1.91325 1.93119 1.94321 1.95334 1.95841 1.96554 1.97163 1.98002 1.98561 1.98986 1.99394 2.00463 2.00990 2.02590 2.03861 2.04678 2.04986 2.05429 2.06437 2.07076 2.08975 2.09170 2.10165 2.10442 2.11183 2.12187 2.12338 2.13787 2.15129 2.16369 2.17612 2.17976 2.19206 2.20824 2.21405 2.22078 2.22644 2.22727 2.23622 2.24206 2.24997 2.26660 2.27219 2.28298 2.28889 2.29742 2.30976 2.31421 2.32349 2.33466 2.34035 2.34312 2.35184 2.35990 2.38120 2.38620 2.39460 2.40324 2.41177 2.41634 2.42431 2.43403 2.44188 2.44891 2.45982 2.46458 2.47592 2.47811 2.49556 2.49940 2.51376 2.51739 2.52264 2.53567 2.54867 2.55232 2.55868 2.56298 2.58780 2.59483 2.60756 2.61361 2.61481 2.62382 2.64397 2.64966 2.65185 2.66215 2.66330 2.67836 2.67979 2.68698 2.69130 2.70161 2.71084 2.73023 2.73583 2.74237 2.75098 2.76413 2.77117 2.77306 2.78114 2.78925 2.79473 2.80817 2.82172 2.82988 2.83540 2.84208 2.85155 2.85666 2.86145 2.87024 2.87620 2.88142 2.88742 2.89582 2.90382 2.91993 2.92953 2.93869 2.94475 2.94931 2.96728 2.97389 2.97894 2.98790 2.99042 2.99535 3.00955 3.01410 3.02149 3.02681 3.03445 3.03552 3.04409 3.04885 3.05379 3.05898 3.06825 3.07155 3.07813 3.08121 3.08730 3.10172 3.10385 3.10506 3.11334 3.11850 3.12142 3.12586 3.12992 3.13278 3.13966 3.14520 3.15745 3.16183 3.17295 3.18322 3.18681 3.19033 3.19729 3.20160 3.21430 3.21662 3.21963 3.22625 3.23345 3.23602 3.24223 3.25069 3.25816 3.26980 3.27419 3.28237 3.28766 3.29729 3.29969 3.30399 3.30908 3.31342 3.32018 3.32338 3.34176 3.34709 3.34959 3.35302 3.36498 3.36904 3.37391 3.37702 3.37978 3.38415 3.39110 3.39891 3.40930 3.41877 3.42023 3.42681 3.43315 3.43940 3.44690 3.46083 3.46485 3.46699 3.47181 3.48130 3.48331 3.48960 3.49584 3.49943 3.51383 3.51883 3.52442 3.52783 3.53287 3.53962 3.54253 3.54836 3.55105 3.56721 3.56900 3.57498 3.58343 3.59864 3.60310 3.61076 3.62163 3.62771 3.63636 3.63826 3.64117 3.64880 3.65976 3.66720 3.67540 3.68054 3.68586 3.69600 3.70094 3.70841 3.71914 3.73681 3.74056 3.74980 3.76232 3.77013 3.77915 3.78110 3.78731 3.79556 3.80097 3.80564 3.82187 3.83324 3.83970 3.84553 3.85786 3.86514 3.86860 3.87983 3.89832 3.90175 3.90425 3.90819 3.91960 3.93582 3.94037 3.94654 3.94897 3.95513 3.95996 3.96189 3.96934 3.97835 3.98363 3.98414 3.98872 4.00498 4.01447 4.01858 4.02905 4.03235 4.03985 4.04904 4.05690 4.06212 4.07648 4.08437 4.08561 4.10193 4.10319 4.11237 4.12037 4.12434 4.13099 4.13681 4.14683 4.15513 4.15555 4.16397 4.16804 4.17599 4.17975 4.19614 4.20339 4.20969 4.22231 4.23070 4.24466 4.24746 4.25388 4.26392 4.27511 4.28459 4.29662 4.31053 4.31497 4.32694 4.32918 4.33467 4.34304 4.34876 4.35987 4.36459 4.38330 4.38594 4.39516 4.40665 4.41933 4.43528 4.44594 4.45802 4.45814 4.46971 4.48635 4.52032 4.52905 4.56299 4.57510 4.58071 4.60303 4.61938 4.61993 4.63689 4.65800 4.66065 4.68199 4.69046 4.69268 4.70384 4.71436 4.71639 4.73499 4.73733 4.74355 4.75641 4.77998 4.78502 4.79104 4.80409 4.82084 4.83193 4.84705 4.85226 4.86542 4.87533 4.89203 4.92288 4.93364 4.94846 4.95513 4.96509 4.98086 4.99971 5.01120 5.01701 5.02247 5.03952 5.04144 5.05270 5.06615 5.06836 5.08307 5.11640 5.11794 5.13458 5.14202 5.15964 5.16442 5.17249 5.19146 5.19485 5.19953 5.20899 5.21934 5.24095 5.25469 5.27403 5.28329 5.28434 5.29100 5.30179 5.30860 5.32418 5.33018 5.33757 5.34066 5.34797 5.36247 5.37280 5.38867 5.41402 5.41552 5.43170 5.44603 5.44967 5.45174 5.46159 5.46497 5.48444 5.49463 5.50800 5.51470 5.53081 5.53825 5.55577 5.55959 5.58617 5.59123 5.59893 5.60914 5.62761 5.63499 5.64133 5.64543 5.65462 5.66319 5.67021 5.69080 5.70185 5.72029 5.72463 5.74099 5.74411 5.77436 5.77693 5.78097 5.80795 5.82855 5.84145 5.88797 5.92789 5.93062 5.95901 5.97640 6.02676 6.03518 6.06279 6.17264 6.18347 6.20088 6.23607 6.28692 6.30358 6.33820 6.35535 6.36680 6.39403 6.40127 6.46556 6.51304 6.53407 6.58826 6.62059 6.65827 6.69529 6.80082 6.81812 6.83136 6.85908 6.87449 6.90242 6.90448 6.94066 6.94190 6.94447 6.94575 6.94784 6.94910 6.95122 6.95432 6.95626 6.95935 6.96009 6.96265 6.96418 6.96546 6.97218 6.97241 6.97807 6.98418 6.99962 7.02666 7.04326 7.07318 7.07564 7.08315 7.09294 7.09383 7.09812 7.10301 7.11569 7.16470 7.16751 7.16936 7.17352 7.17796 7.19081 7.20435 7.24110 7.24587 7.27021 7.44194 7.46030 7.46154 7.47153 7.47683 7.48116 7.48502 7.50245 7.55510 7.58514 7.61153 7.61288 7.61883 7.70241 7.70828 7.71834 7.74088 8.39362 8.40025 8.41826 8.42372 8.43458 8.43677 8.57238 8.58006 8.58963 8.60062 8.67297 8.68435 8.79651 8.80707 8.87256 8.88562 8.89024 8.90370 8.98886 8.99790 9.05469 9.06785 9.10883 9.11362 9.12116 9.15954 9.22408 9.25086 9.26409 9.28698 16.08804 22.92451 23.00295 23.03329 23.25280 23.27768 23.38295 23.55313 23.58812 23.60844 23.63827 23.70819 23.74419 32.53420 32.68484 33.03701 33.08334 44.17438 44.18928 44.38767 44.52610 57.31307 57.35213 57.37774 57.49317 57.56669 57.58734 -24.82734 -24.82671 -24.82507 -24.82437 -24.82316 -24.82302 -19.31133 -19.30413 -19.25309 -19.24148 -14.53484 -14.52026 -14.39942 -14.39738 -10.52242 -10.51972 -10.44016 -10.42754 -10.38017 -10.36559 -10.36270 -10.34158 -10.33590 -10.33223 -10.33054 -10.31914 -6.83973 -1.41103 -1.40725 -1.31958 -1.31686 -1.31597 -1.31370 -1.23573 -1.22335 -1.18351 -1.14040 -1.12961 -1.04624 -1.04400 -0.94474 -0.90610 -0.90422 -0.84305 -0.83890 -0.80760 -0.80506 -0.78299 -0.75530 -0.74341 -0.70301 -0.69891 -0.68507 -0.68091 -0.67550 -0.67274 -0.67121 -0.66347 -0.63758 -0.62961 -0.62016 -0.61385 -0.59386 -0.59088 -0.58430 -0.57990 -0.57624 -0.57472 -0.56818 -0.55603 -0.55273 -0.55155 -0.54779 -0.54469 -0.54037 -0.52266 -0.52018 -0.51743 -0.51443 -0.50636 -0.50426 -0.50350 -0.49994 -0.48815 -0.48506 -0.48055 -0.46725 -0.45964 -0.45461 -0.45055 -0.44982 -0.44316 -0.43589 -0.40457 -0.39741 -0.38884 -0.37181 -0.36453 -0.35986 -0.35096 -0.33739 -0.04862 0.04139 0.05634 0.06501 0.08474 0.09669 0.11191 0.12039 0.12746 0.13489 0.14007 0.14407 0.15301 0.16102 0.17063 0.17129 0.18269 0.18547 0.18932 0.19391 0.19583 0.20664 0.21168 0.21434 0.22432 0.22986 0.23474 0.23874 0.24138 0.24647 0.24903 0.25280 0.26157 0.26711 0.27306 0.27393 0.27993 0.28717 0.29191 0.29610 0.29993 0.30900 0.31588 0.32206 0.32637 0.32827 0.33721 0.33966 0.34126 0.35156 0.35268 0.35777 0.36037 0.36683 0.37055 0.37298 0.37681 0.38189 0.38890 0.39235 0.39781 0.40442 0.40994 0.41192 0.41525 0.42111 0.42443 0.42958 0.43200 0.43351 0.44002 0.44241 0.44798 0.45043 0.45591 0.45795 0.46847 0.47064 0.47644 0.48026 0.48073 0.48925 0.49277 0.49463 0.50025 0.50475 0.50876 0.51663 0.52158 0.52763 0.52937 0.53373 0.53698 0.54030 0.54748 0.54976 0.56049 0.56626 0.57236 0.57889 0.58408 0.58856 0.59335 0.60224 0.60607 0.60997 0.61355 0.62124 0.62182 0.62545 0.62987 0.63807 0.64452 0.64646 0.65406 0.65534 0.66996 0.67448 0.67602 0.68209 0.69221 0.69593 0.70186 0.70728 0.71774 0.71909 0.72077 0.72806 0.73598 0.74574 0.74789 0.75138 0.75596 0.76150 0.77056 0.77657 0.78073 0.78778 0.79274 0.79845 0.80574 0.80919 0.81951 0.82405 0.82786 0.84239 0.84779 0.85022 0.85775 0.86457 0.86821 0.87278 0.88371 0.88640 0.89275 0.89663 0.90283 0.90592 0.91236 0.91845 0.92667 0.93172 0.93878 0.94043 0.95234 0.96166 0.96483 0.96771 0.96868 0.97098 0.98143 0.98513 0.98924 0.99373 0.99601 1.00429 1.00927 1.01324 1.01894 1.02274 1.03047 1.03520 1.03697 1.04086 1.04730 1.05849 1.07056 1.07484 1.08330 1.08860 1.08967 1.09279 1.09579 1.10642 1.11053 1.11796 1.12015 1.12345 1.12800 1.13636 1.14308 1.14834 1.15859 1.16202 1.16575 1.17566 1.18097 1.18770 1.19646 1.20316 1.20983 1.21461 1.22073 1.22769 1.23212 1.23759 1.24311 1.25390 1.25906 1.26637 1.27737 1.28505 1.29260 1.29342 1.30165 1.30688 1.31740 1.32499 1.33626 1.33945 1.34712 1.35569 1.36452 1.36824 1.37156 1.38104 1.39033 1.39558 1.40323 1.40708 1.41714 1.42430 1.43256 1.43846 1.44199 1.45440 1.45891 1.46292 1.46728 1.47303 1.48331 1.49329 1.50449 1.50759 1.51080 1.51896 1.53319 1.54278 1.54525 1.55051 1.55535 1.55956 1.56530 1.57021 1.58136 1.59026 1.59984 1.60906 1.61439 1.62072 1.63609 1.63990 1.64363 1.64763 1.65256 1.66429 1.67753 1.68763 1.68911 1.70340 1.70814 1.71018 1.71851 1.72099 1.73389 1.74567 1.74797 1.75872 1.76749 1.77672 1.78422 1.79435 1.79940 1.80608 1.81403 1.81925 1.83466 1.83869 1.85367 1.86148 1.86969 1.88126 1.88820 1.89565 1.89832 1.90977 1.91594 1.93342 1.94535 1.95473 1.96113 1.96724 1.97368 1.98167 1.98853 1.99169 1.99491 2.00758 2.01164 2.02725 2.04016 2.04825 2.05356 2.05584 2.06567 2.07389 2.09092 2.09403 2.10574 2.10702 2.11555 2.12323 2.12771 2.14297 2.15585 2.16601 2.17890 2.18717 2.19328 2.20915 2.21649 2.22161 2.22806 2.23187 2.24049 2.24394 2.25359 2.27113 2.27649 2.28704 2.29199 2.30015 2.31212 2.31864 2.32599 2.33721 2.34287 2.34406 2.35362 2.36256 2.38466 2.38803 2.39696 2.40695 2.41279 2.41732 2.42603 2.43771 2.44306 2.45123 2.46166 2.46603 2.47690 2.48058 2.49699 2.50024 2.51573 2.52009 2.52466 2.53860 2.55140 2.55450 2.56058 2.56673 2.59050 2.59683 2.61007 2.61518 2.61741 2.62528 2.64515 2.65128 2.65235 2.66312 2.66472 2.67918 2.68161 2.68894 2.69220 2.70394 2.71190 2.73158 2.73684 2.74463 2.75190 2.76654 2.77273 2.77532 2.78301 2.79066 2.79578 2.80964 2.82218 2.83073 2.83868 2.84366 2.85352 2.85822 2.86238 2.87332 2.87924 2.88366 2.88926 2.89844 2.90578 2.92274 2.93208 2.94031 2.94603 2.95211 2.96879 2.97493 2.98111 2.98927 2.99243 2.99654 3.01022 3.01519 3.02320 3.02786 3.03527 3.03650 3.04511 3.04977 3.05473 3.06041 3.06911 3.07275 3.07906 3.08246 3.08877 3.10310 3.10619 3.10656 3.11447 3.12000 3.12236 3.12755 3.13180 3.13439 3.14144 3.14736 3.15915 3.16431 3.17435 3.18436 3.18780 3.19119 3.19826 3.20331 3.21574 3.21986 3.22061 3.22779 3.23538 3.23709 3.24368 3.25208 3.25937 3.27113 3.27617 3.28330 3.28869 3.29819 3.30111 3.30525 3.31129 3.31478 3.32147 3.32465 3.34339 3.34819 3.35054 3.35408 3.36859 3.37147 3.37481 3.37781 3.38178 3.38587 3.39228 3.40008 3.41146 3.41963 3.42094 3.42855 3.43399 3.44172 3.44748 3.46214 3.46613 3.46788 3.47341 3.48221 3.48664 3.49026 3.49707 3.50128 3.51565 3.51983 3.52598 3.52848 3.53483 3.54040 3.54390 3.55063 3.55248 3.56788 3.57008 3.57680 3.58549 3.59931 3.60371 3.61149 3.62232 3.62822 3.63799 3.64001 3.64252 3.65101 3.66040 3.66859 3.67639 3.68115 3.68772 3.69694 3.70195 3.70930 3.72118 3.73753 3.74121 3.75015 3.76356 3.77087 3.77972 3.78240 3.78829 3.79681 3.80210 3.80585 3.82299 3.83533 3.84033 3.84619 3.86038 3.86594 3.86950 3.88069 3.89988 3.90278 3.90467 3.90882 3.92028 3.93613 3.94135 3.94858 3.94982 3.95556 3.96076 3.96324 3.96977 3.97939 3.98445 3.98634 3.98975 4.00580 4.01612 4.02003 4.02985 4.03328 4.04180 4.05018 4.05800 4.06309 4.07694 4.08507 4.08605 4.10298 4.10369 4.11331 4.12173 4.12559 4.13208 4.13859 4.14793 4.15589 4.15651 4.16491 4.16928 4.17723 4.18065 4.19682 4.20407 4.21058 4.22283 4.23161 4.24531 4.24878 4.25514 4.26503 4.27572 4.28527 4.29737 4.31153 4.31538 4.32749 4.32948 4.33539 4.34367 4.34957 4.36089 4.36606 4.38370 4.38791 4.39533 4.41104 4.42149 4.43637 4.44726 4.45913 4.46029 4.47069 4.48923 4.52101 4.52930 4.56354 4.57545 4.58142 4.60330 4.61956 4.62008 4.63754 4.65857 4.66127 4.68424 4.69109 4.69444 4.70615 4.71710 4.71846 4.73633 4.73959 4.74629 4.75851 4.78373 4.78584 4.79379 4.80514 4.82426 4.83443 4.84897 4.85448 4.86688 4.87617 4.89364 4.92301 4.93386 4.94881 4.95673 4.96699 4.98319 5.00160 5.01199 5.01803 5.02464 5.04079 5.04358 5.05359 5.06857 5.06968 5.08369 5.11779 5.12127 5.13632 5.14326 5.16153 5.16726 5.17393 5.19185 5.19585 5.20018 5.20930 5.21964 5.24376 5.25499 5.27463 5.28373 5.28486 5.29153 5.30209 5.30880 5.32700 5.33156 5.33903 5.34199 5.34856 5.36368 5.37367 5.38987 5.41571 5.41683 5.43289 5.44708 5.45045 5.45218 5.46333 5.46551 5.48570 5.49641 5.50873 5.51585 5.53316 5.53945 5.55721 5.56076 5.58705 5.59213 5.59993 5.60961 5.62822 5.63576 5.64166 5.64615 5.65519 5.66321 5.67044 5.69179 5.70285 5.72109 5.72511 5.74165 5.74454 5.77547 5.77755 5.78204 5.80877 5.82992 5.84295 5.88895 5.92807 5.93078 5.95947 5.97750 6.02679 6.03693 6.06286 6.17382 6.18373 6.20125 6.23651 6.28697 6.30386 6.33849 6.35562 6.36705 6.39421 6.40135 6.46598 6.51356 6.53409 6.58838 6.62068 6.65871 6.69537 6.80100 6.81847 6.83152 6.85924 6.87449 6.90261 6.90468 6.94102 6.94223 6.94471 6.94597 6.94812 6.94927 6.95162 6.95474 6.95659 6.95978 6.96038 6.96293 6.96444 6.96566 6.97257 6.97272 6.97824 6.98443 6.99974 7.02680 7.04385 7.07322 7.07590 7.08335 7.09304 7.09413 7.09842 7.10333 7.11609 7.16505 7.16760 7.16953 7.17384 7.17821 7.19108 7.20442 7.24147 7.24626 7.27035 7.44198 7.46098 7.46157 7.47206 7.47733 7.48138 7.48540 7.50259 7.55527 7.58517 7.61177 7.61316 7.61930 7.70279 7.70862 7.71865 7.74119 8.39426 8.40082 8.41865 8.42416 8.43495 8.43713 8.57289 8.58051 8.59013 8.60121 8.67342 8.68478 8.79695 8.80750 8.87302 8.88622 8.89063 8.90430 8.98939 8.99854 9.05504 9.06842 9.10939 9.11391 9.12180 9.15965 9.22450 9.25134 9.26447 9.28735 16.09391 22.92441 23.00305 23.03304 23.25525 23.27938 23.38738 23.55316 23.58776 23.60850 23.63847 23.70820 23.74421 32.53492 32.68551 33.03802 33.08430 44.17443 44.18937 44.38767 44.52610 57.31326 57.35241 57.37782 57.49327 57.56683 57.58759 2-A. -7.8104 2.2602 -0.1103 8.1316 -147.1427 -129.1366 -143.9045 -12.4651 6.5012 -1.8323 -7.0814 10.9247 -3.8432 -12.4651 6.5012 -1.8323 -35.0653 46.0920 8.1365 -70.4306 24.4511 -3.5466 26.4260 -31.7616 -14.6708 11.2393 -4790.2608 -3026.3157 -1437.9042 -194.0952 12.8438 -202.3518 -1.2864 11.0362 62.3709 -1239.7714 -1112.9240 -799.8193 -30.4367 27.3442 81.1897 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BERON03 GRUFOR 2024-09-26T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1608.5608982 S2=0.756795 S2-1=0. S2A=0.750034 RMSD=2.903e-09 Dipole=2.8997454,1.3205265,-0.2877073 Quadrupole=-6.8502878,10.6638148,-3.813527,7.3229705,4.5185541,0.6284571 PG=C01[X(C12H12B1F6N4O4)] 0 -1.7303491348 0.6126449455 0.5400385802 0 -0.9408285396 -0.6306119918 0.6124685428 0 0.3601218438 1.0637537504 0.5083492258 0 2.1948608548 -2.2049687993 -1.4517382116 0 1.5703786131 -3.1026157997 -1.4525767321 0 2.6912284719 -1.9228282522 -0.051721022 0 1.4325838524 -1.0243645237 -2.0208290012 0 3.4061562717 -0.9913835512 0.2562539914 0 1.9057308753 0.0676327034 -2.2040842623 0 0.1845479396 -1.3593650155 -2.3218109029 0 2.3175444479 -2.8554009272 0.7953480213 0 2.541986744 -2.5997800993 2.1743184513 0 2.1869721696 -3.4872753284 2.7080417018 0 3.6083222954 -2.427503249 2.3754056508 0 1.9581508381 -1.716543439 2.4702620721 0 -0.6658463504 -0.3229835463 -2.7943810723 0 -1.6738767575 -0.7482395628 -2.8251166478 0 -0.6465008272 0.5372224211 -2.1103458601 0 -0.3524918416 0.008597031 -3.7947440532 0 1.6104789399 1.9781709949 0.3147986722 0 3.6315950128 2.8121136069 -0.0807718405 0 2.7655262484 3.8642432142 0.0004554672 0 4.6999733834 2.7908275701 -0.2696157311 0 2.9315265598 4.9321639292 -0.0962439061 0 2.8968978384 1.6736985878 0.1215728704 0 1.5298307411 3.3187646514 0.2455064711 0 3.2191937134 0.6883089287 0.0592988025 0 0.6377673476 3.7964059743 0.3383535533 0 0.3420587428 -0.3814400995 0.6123309309 0 -0.9586764229 1.6637626434 0.47898749 0 -3.2285417764 0.7245836456 0.4069129033 0 -1.4819825314 -2.0370185039 0.678975681 0 -2.023733907 -2.3011764167 1.8741295269 0 -2.4363433869 -2.2306102288 -0.2424212969 0 -0.5311830962 -2.9426049447 0.4674880493 0 -3.86683355 -0.1618100001 1.1789960102 0 -3.6632915594 1.9357318715 0.7356944338 0 -3.6119156506 0.4922419319 -0.8603924319 0 3.0792295869 -2.3594051224 -2.0886881275